SCHEMBL8103799

SCHEMBL8103799

Cc1ccc(C)c(CN2CCC[C@H](C(=O)NCCc3cncn3Cc3ccc(C#N)cc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
FNTA P49354 12/20 0.46
FNTB P49356 12/20 0.46
PGGT1B P53609 12/20 0.46
GPBAR1 Q8TDU6 4/20 0.46
ERG P11308 2/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL8426462 1.00 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8088444 0.86 FNTA (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8095394 0.86 FNTA (0.60) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8098295 0.86 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8442897 0.86 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8095910 0.85 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8442385 0.85 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8103795 0.84 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8088941 0.84 KCNH2 (0.59) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097856 0.84 KCNH2 (0.59) 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 5 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
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed