SCHEMBL8865987

SCHEMBL8865987

CC(c1ccccc1)C(NC=O)c1cccc(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
TACR1 P25103 1/20 0.36
HPGDS O60760 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
MAOA P21397 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
CYP19A1 P11511 1/20 0.35
MAOB P27338 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
FADS1 O60427 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL7267889 0.84 KMT2A (0.47) MEN1KMT2ATAAR1TACR1ALDH1A1
SCHEMBL8865889 0.82 ACP3 (0.42) MEN1KMT2ATAAR1LMNAALDH1A1
SCHEMBL8868980 0.77 ACP3 (0.47) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL7430254 0.72 KMT2A (0.46) MEN1KMT2ATAAR1KDM4ELMNA
SCHEMBL12789448 0.71 KMT2A (0.48) MEN1KMT2ATAAR1TACR1ALDH1A1
SCHEMBL9395234 0.70 ADRB2 (0.39) MEN1KMT2ACPN1CPB2TACR1
SCHEMBL27573550 0.70 CYP3A4 (0.42) CPN1CPB2MAPKAPK2MAOALMNA
SCHEMBL15171130 0.69 MAOA (0.46) MEN1KMT2ATAAR1CPN1CPB2
SCHEMBL9026808 0.67 CYP3A4 (0.48) CPN1CPB2MAPKAPK2MAOALMNA
SCHEMBL21943029 0.67 CYP3A4 (0.48) MEN1KMT2ACPN1CPB2MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605916-A Arylalkyl-amines having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1997-02-25 US disclosed
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 US disclosed
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP disclosed
US-5430044-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (GB) 1995-07-04 US disclosed
EP-0648489-A1 Arylalkylamides having neuroprotective properties FISONS CORPORATION (US) 1995-04-19 EP disclosed
EP-0648745-A1 Arylalkylamine having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1995-04-19 EP disclosed
US-5331007-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (US) 1994-07-19 US disclosed
WO-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO disclosed
EP-0356035-A2 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1990-02-28 EP disclosed