SCHEMBL8097937

SCHEMBL8097937

N#Cc1ccc(Cn2cncc2CCNC(=O)[C@H]2CCCN(c3ccccc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.58
FNTB P49356 11/20 0.58
PGGT1B P53609 10/20 0.58
GPBAR1 Q8TDU6 7/20 0.52
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
ERG P11308 2/20 0.49
CHRM4 P08173 1/20 0.49

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
SCHEMBL8440130 1.00 FNTA (0.58) FNTAFNTBPGGT1BGPBAR1CYP11B1
Hydrochloric Acid SCHEMBL7973982 0.99 FNTA (0.57) FNTAFNTBPGGT1BGPBAR1CYP11B1
SCHEMBL8098513 0.91 GPBAR1 (0.52) FNTAFNTBPGGT1BGPBAR1CYP11B1
SCHEMBL8437320 0.91 GPBAR1 (0.52) FNTAFNTBPGGT1BGPBAR1CYP11B1
SCHEMBL8095394 0.89 FNTA (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8088612 0.89 GPBAR1 (0.51) FNTAFNTBPGGT1BGPBAR1CYP11B1
SCHEMBL8095375 0.89 GPBAR1 (0.51) FNTAFNTBPGGT1BGPBAR1CYP11B1
SCHEMBL8425942 0.87 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8088609 0.87 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095374 0.87 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2

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