SCHEMBL8444571

SCHEMBL8444571

CC(=O)N(CCc1cnc(C)n1Cc1ccc(C#N)cc1)CC1CCCN(CC(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.45
FNTB P49356 4/20 0.45
PGGT1B P53609 4/20 0.45
CCR2 P41597 1/20 0.40
CCR5 P51681 2/20 0.40
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL8095345 1.00 FNTA (0.45) FNTAFNTBPGGT1BCCR2CCR5
SCHEMBL7521521 0.89 FNTA (0.44) FNTAFNTBPGGT1BCCR5
SCHEMBL7453431 0.89 FNTA (0.44) FNTAFNTBPGGT1BCCR5
SCHEMBL8441440 0.86 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL8097736 0.86 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL8097241 0.80 GPBAR1 (0.48) FNTAFNTBPGGT1BCCR2
SCHEMBL8535449 0.80 GPBAR1 (0.48) FNTAFNTBPGGT1BCCR2
SCHEMBL8007903 0.78 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL8097236 0.74 CCR5 (0.44) FNTAFNTBPGGT1BCCR2CCR5
SCHEMBL8088745 0.73 FNTA (0.47) FNTAFNTBPGGT1B

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