SCHEMBL7841490

SCHEMBL7841490

N#Cc1ccc(Cc2ncc(CCNC(=O)C3CCN(c4ccccc4)CC3)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.54
KDM4E B2RXH2 1/20 0.47
CHRM2 P08172 4/20 0.46
GPBAR1 Q8TDU6 4/20 0.45
CHRM1 P11229 2/20 0.44
BRS3 P32247 1/20 0.43
EP300 Q09472 1/20 0.43
ERG P11308 1/20 0.43

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
Hydrochloric Acid SCHEMBL7845666 0.99 CHRM4 (0.53) CHRM4KDM4ECHRM2GPBAR1CHRM1
SCHEMBL7459728 0.82 FNTA (0.42) GPBAR1BRS3EP300ERG
Hydrochloric Acid SCHEMBL7452346 0.82 FNTA (0.42) GPBAR1BRS3EP300ERG
Hydrochloric Acid SCHEMBL7830292 0.81 CHRM4 (0.42) CHRM4BRS3EP300
SCHEMBL7921304 0.75 BRS3 (0.52) CHRM4BRS3EP300
SCHEMBL8413422 0.74 BRS3 (0.47) KDM4EBRS3
SCHEMBL15808499 0.73 KDM4E (0.73) CHRM4KDM4ECHRM2
SCHEMBL7464954 0.72 FNTA (0.45) BRS3
SCHEMBL7682555 0.72 ACKR3 (0.40) GPBAR1BRS3EP300ERG
SCHEMBL8300491 0.71 FNTA (0.41) BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed