SCHEMBL2917664

SCHEMBL2917664

CNC(=O)C(C)(C(=O)O)c1ccc(OC(=O)c2ccc(N(C)C(=N)N)cc2)cc1.CS(=O)(=O)O

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 4/20 0.37
ACR P10323 4/20 0.40
TMPRSS15 P98073 3/20 0.40
PRSS1 P07477 7/20 0.39
KLK1 P06870 5/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FTO Q9C0B1 1/20 0.38
C1R P00736 1/20 0.37
F10 P00742 1/20 0.37
KLKB1 P03952 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP10 Q53GL7 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4597132 0.96 MAPT (0.41) ACRTMPRSS15PRSS1MAPTTDP1
SCHEMBL7309964 0.84 ACR (0.42) ACRTMPRSS15PRSS1KLK1MAPT
SCHEMBL1645313 0.79 KMT2A (0.44) ACRTMPRSS15PRSS1MAPTTDP1
SCHEMBL5177919 0.79 PRSS1 (0.37) ACRTMPRSS15PRSS1KLK1MAPT
SCHEMBL1399025 0.75 ACR (0.41) ACRTMPRSS15PRSS1KLK1MAPT
SCHEMBL5634875 0.75 MAPT (0.46) ACRTMPRSS15PRSS1KLK1MAPT
SCHEMBL1399026 0.70 KMT2A (0.43) ACRTMPRSS15PRSS1MAPTTDP1
SCHEMBL11305079 0.70 ALDH1A1 (0.47) ACRTMPRSS15PRSS1KLK1MAPT
SCHEMBL7315833 0.67 PRSS1 (0.42) ACRTMPRSS15PRSS1KLK1MAPT
SCHEMBL28467251 0.65 PRSS1 (0.61) ACRTMPRSS15PRSS1KLK1FTO

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696960-B1 INTRANASAL ADMINISTRATION OF GLUCOSE-REGULATING PEPTIDES AMYLIN PHARMACEUTICALS INC (US) 2010-09-08 EP disclosed
EP-1965828-A2 PHARMACEUTICAL FORMULATION FOR INCREASED EPITHELIAL PERMEABILITY OF GLUCOSE-REGULATING PEPTIDE Nastech Pharmaceutical Company Inc. (US) 2008-09-10 EP disclosed
EP-1539220-A4 COMPOSITIONS AND METHODS FOR ENHANCED MUCOSAL DELIVERY OF INTERFERON BETA NASTECH PHARM CO (US) 2008-04-02 EP disclosed
WO-2007146448-A1 PHARMACEUTICAL FORMULATIONS OF GLP-1 DERIVATIVES NASTECH PHARMACEUTICAL COMPANY INC. (US) 2007-12-21 WO disclosed
WO-2007065156-A2 PHARMACEUTICAL FORMULATION FOR INCREASED EPITHELIAL PERMEABILITY OF GLUCOSE-REGULATING PEPTIDE NASTECH PHARMACEUTICAL COMPANY INC. (US) 2007-06-07 WO disclosed
WO-2006007412-A9 PEPTIDE YY FORMULATIONS HAVING INCREASED STABILITY AND RESISTANCE TO MICROBIAL AGENTS NASTECH PHARM CO (US) 2006-09-21 WO disclosed
US-20060210614-A1 Mucosal delivery-enhancing agent selected from a solubilization agent; a charge-modifying agent; a pH control agent; a degradative enzyme inhibitor; a mucolytic/mucus clearing agent; increased bioavailability of exendins peptide when administered intranasally to a mammal; antidiabetic/antiobesity agent NASTECH PHARMACEUTICAL COMPANY INC. 2006-09-21 US disclosed
US-20060069021-A1 Compositions and methods for intranasal administration of inactive analogs of PTH or inactivated preparations of PTH or PTH analogs NASTECH PHARMACEUTICAL COMPANY INC. 2006-03-30 US disclosed
EP-1539220-A2 COMPOSITIONS AND METHOD FOR ENHANCED MUCOSAL DELIVERY OF INTERFERON BETA Nastech Pharmaceutical Company Inc. (US) 2005-06-15 EP disclosed
WO-2004002404-A2 COMPOSITIONS AND METHOD FOR ENHANCED MUCOSAL DELIVERY OF INTERFERON BETA NASTECH PHARMACEUTICAL COMPANY INC. (US) 2004-01-08 WO disclosed