SCHEMBL1897500

SCHEMBL1897500

N[C@@H](Cc1ccc(OC(=O)[C@@H](N)Cc2c[nH]cn2)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MPO P05164 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
LTA4H P09960 1/20 0.51
PLA2G2A P14555 1/20 0.51
TACR1 P25103 2/20 0.44
ERAP2 Q6P179 2/20 0.44
LNPEP Q9UIQ6 2/20 0.44
ERAP1 Q9NZ08 1/20 0.44
SCN9A Q15858 3/20 0.42
ECE1 P42892 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tryptophan SCHEMBL2689669 0.97 KMT2A (0.57) MEN1KMT2AKDM4ELMNAMPO
Histidine SCHEMBL1996749 0.97 KMT2A (0.57) MEN1KMT2AKDM4ELMNAMPO
Tryptophan SCHEMBL6390462 0.92 KMT2A (0.55) MEN1KMT2AKDM4ELMNAMPO
Proline SCHEMBL9988877 0.90 MEN1 (0.43) MEN1KMT2AKDM4ELMNAMPO
Tryptophan SCHEMBL8634349 0.89 KMT2A (0.68) MEN1KMT2AKDM4ELMNAMPO
Dl-Tryptophan SCHEMBL8634348 0.89 KMT2A (0.68) MEN1KMT2AKDM4ELMNAMPO
SCHEMBL1239230 0.88 MEN1 (0.59) MEN1KMT2AKDM4ELMNAMPO
Phenylalanine SCHEMBL10381280 0.88 KMT2A (0.70) MEN1KMT2AKDM4ELMNAMPO
SCHEMBL6032937 0.87 KMT2A (0.71) MEN1KMT2AKDM4ELMNAMPO
SCHEMBL597229 0.87 KMT2A (0.71) MEN1KMT2AKDM4ELMNAMPO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496245-B1 ANALOGS OF PITUTARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND METHODS FOR THEIR USE UNIV TULANE (US) 2016-07-20 EP disclosed
US-9353171-B2 Use of pituitary adenylate cyclase-activating polypeptide (PACAP) and PACAP analogs for treating contrast-induced nephropathy THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2016-05-31 US disclosed
EP-3019184-A1 ANALOGS OF PITUITARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND METHODS FOR THEIR USE The Administrators of the Tulane Educational Fund (US) 2016-05-18 EP disclosed
US-20160122406-A1 ANALOGS OF PITUITARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND METHODS FOR THEIR USE THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2016-05-05 US disclosed
CN-102215859-B Use of Pituitary Adenylate Cyclase Activating Polypeptide (PACAP) and PACAP analogs as adjunctive therapy with anticancer agents THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2016-04-20 CN disclosed
US-20150104388-A1 ANALOGS OF PITUITARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND METHODS FOR THEIR USE THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2015-04-16 US disclosed
US-8916517-B2 Analogs of pituitary adenylate cyclase-activating polypeptide (PACAP) and methods for their use THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-12-23 US disclosed
WO-2014197909-A1 ANALOGS OF PITUITARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND METHODS FOR THEIR USE THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-12-11 WO disclosed
US-20140314838-A1 USE OF PITUITARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND PACAP ANALOGS FOR TREATING CONTRAST-INDUCED NEPHROPATHY THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2014-10-23 US disclosed
WO-2013074966-A1 USE OF PITUITARY ADENYLATE CYCLASE ACTIVATING POLYPEPTIDE (PACAP) AND PACAP ANALOGS FOR TREATING CONTRAST -INDUSED NEPHROPATHY THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2013-05-23 WO disclosed
EP-2533795-A2 THE USE OF PITUITARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND PACAP ANALOGS AS ADJUNCTIVE TREATMENTS WITH INHIBITORS OF CALCINEURIN OR INHIBITORS OF THE MAMMALIAN TARGET OF RAPAMYCIN (mTOR) COMPLEXES The Administrators of the Tulane Educational Fund (US) 2012-12-19 EP disclosed
US-20120309683-A1 USE OF PITUITARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND PACAP ANALOGS AS ADJUNCTIVE TREATMENTS WITH INHIBITORS OF CALCINEURIN OR INHIBITORS OF THE MAMMALIAN TARGET OF RAPAMYCIN (mTOR) COMPLEXES THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2012-12-06 US disclosed
EP-2496245-A2 ANALOGS OF PITUTARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND METHODS FOR THEIR USE The Administrators Of The Tulane (US) 2012-09-12 EP disclosed
WO-2011159840-A2 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-12-22 WO disclosed
US-20110268789-A1 USE OF PITUITARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND PACAP ANALOGS AS ADJUNCTIVE TREATMENTS WITH ANTICANCER AGENTS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2011-11-03 US disclosed
CN-102215859-A Use of Pituitary Adenylate Cyclase Activating Polypeptide (PACAP) and PACAP analogs as adjunctive therapy with anticancer agents UNIV TULANE 2011-10-12 CN disclosed
WO-2011097581-A2 THE USE OF PITUITARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND PACAP ANALOGS AS ADJUNCTIVE TREATMENTS WITH INHIBITORS OF CALCINEURIN OR INHIBITORS OF THE MAMMALIAN TARGET OF RAPAMYCIN (mTOR) COMPLEXES THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2011-08-11 WO disclosed
WO-2011054001-A2 ANALOGS OF PITUTARY ADENYLATE CYCLASE-ACTIVATING POLYPEPTIDE (PACAP) AND METHODS FOR THEIR USE THE ADMINISTRATORS OF THE TULANE (US) 2011-05-05 WO disclosed
US-4713445-A HYPOTENSIVE AGENTS; NONHYDROLYZING; MEDICAL DIAGNOSIS AKTIEBOLAGET HASSLE (SE) 1987-12-15 US disclosed
WO-1984003044-A1 ENZYME INHIBITORS FERRING AB (SE) 1984-08-16 WO disclosed