SCHEMBL8434674

SCHEMBL8434674

Cc1ncc(CCNC(=O)C2CCCN(C(c3ccccc3)c3ccccc3)C2)n1Cc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 12/20 0.49
FNTA P49354 3/20 0.46
FNTB P49356 3/20 0.46
PGGT1B P53609 3/20 0.46
ERG P11308 3/20 0.44
CHRM4 P08173 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8097422 1.00 GPBAR1 (0.49) GPBAR1FNTAFNTBPGGT1BERG
SCHEMBL8535449 0.89 GPBAR1 (0.48) GPBAR1FNTAFNTBPGGT1BERG
SCHEMBL8097241 0.89 GPBAR1 (0.48) GPBAR1FNTAFNTBPGGT1BERG
SCHEMBL8427986 0.85 FNTA (0.53) GPBAR1FNTAFNTBPGGT1B
SCHEMBL8098229 0.85 FNTA (0.53) GPBAR1FNTAFNTBPGGT1B
SCHEMBL8097418 0.85 FNTA (0.42) GPBAR1FNTAFNTBPGGT1BCHRM4
SCHEMBL7521521 0.80 FNTA (0.44) FNTAFNTBPGGT1BCYP3A4CYP2D6
SCHEMBL7453431 0.80 FNTA (0.44) FNTAFNTBPGGT1BCYP3A4CYP2D6
SCHEMBL8444169 0.79 FNTA (0.51) GPBAR1FNTAFNTBPGGT1B
SCHEMBL8097922 0.79 FNTA (0.51) GPBAR1FNTAFNTBPGGT1B

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