SCHEMBL8437320

SCHEMBL8437320

Cc1cccc(N2CCCC(C(=O)NCCc3cncn3Cc3ccc(C#N)cc3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 13/20 0.52
FNTA P49354 6/20 0.50
FNTB P49356 6/20 0.50
PGGT1B P53609 5/20 0.50
ERG P11308 4/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CYP2C9 P11712 1/20 0.48
CYP3A4 P08684 2/20 0.47

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
SCHEMBL8098513 1.00 GPBAR1 (0.52) GPBAR1FNTAFNTBPGGT1BERG
SCHEMBL8097937 0.91 FNTA (0.58) GPBAR1FNTAFNTBPGGT1BERG
SCHEMBL8440130 0.91 FNTA (0.58) GPBAR1FNTAFNTBPGGT1BERG
Hydrochloric Acid SCHEMBL7973982 0.90 FNTA (0.57) GPBAR1FNTAFNTBPGGT1BERG
SCHEMBL8095375 0.85 GPBAR1 (0.51) GPBAR1FNTAFNTBPGGT1BERG
SCHEMBL8088612 0.85 GPBAR1 (0.51) GPBAR1FNTAFNTBPGGT1BERG
SCHEMBL8534261 0.84 FNTA (0.48) GPBAR1FNTAFNTBPGGT1BCYP11B1
SCHEMBL8095893 0.84 FNTA (0.48) GPBAR1FNTAFNTBPGGT1BCYP11B1
SCHEMBL8098508 0.84 FNTA (0.45) GPBAR1FNTAFNTBPGGT1BERG
SCHEMBL8103799 0.83 CYP11B1 (0.48) GPBAR1FNTAFNTBPGGT1BERG

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 7 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
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