SCHEMBL8442385

SCHEMBL8442385

CC(C)CN1CCCC(C(=O)NCCc2cncn2Cc2ccc(C#N)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.52
CYP11B2 P19099 3/20 0.52
FNTA P49354 15/20 0.50
FNTB P49356 15/20 0.50
PGGT1B P53609 14/20 0.50
GPBAR1 Q8TDU6 2/20 0.48
KCNH2 Q12809 1/20 0.46

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
SCHEMBL8095910 1.00 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097935 0.91 FNTA (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL446562 0.90 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8095394 0.89 FNTA (0.60) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8095475 0.86 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8433745 0.86 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8098295 0.86 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8095374 0.86 FNTA (0.61) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8442897 0.86 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8425942 0.86 FNTA (0.61) CYP11B1CYP11B2FNTAFNTBPGGT1B

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 4 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-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed