SCHEMBL8095370

SCHEMBL8095370

N#Cc1ccc(Cn2cncc2CCNC(=O)[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.49
FNTB P49356 7/20 0.49
PGGT1B P53609 7/20 0.49
GPBAR1 Q8TDU6 5/20 0.48
ERG P11308 2/20 0.48
KCNH2 Q12809 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 1/20 0.47
CCR2 P41597 1/20 0.47
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL8443240 1.00 FNTA (0.49) FNTAFNTBPGGT1BGPBAR1ERG
SCHEMBL8097856 0.90 KCNH2 (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8088941 0.90 KCNH2 (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8432635 0.90 FNTA (0.57) FNTAFNTBPGGT1BGPBAR1ERG
SCHEMBL8103827 0.90 FNTA (0.57) FNTAFNTBPGGT1BGPBAR1ERG
SCHEMBL8095394 0.90 FNTA (0.60) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8530784 0.89 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8088212 0.89 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8088419 0.89 FNTA (0.47) FNTAFNTBPGGT1BGPBAR1ERG
SCHEMBL8436084 0.89 FNTA (0.47) FNTAFNTBPGGT1BGPBAR1ERG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP claimed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP claimed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO claimed
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed