SCHEMBL8102502

SCHEMBL8102502

COc1cccc(CCN2CCC[C@H](C(=O)NCCc3cncn3Cc3ccc(C#N)cc3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.49
FNTB P49356 14/20 0.49
PGGT1B P53609 13/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
KCNH2 Q12809 3/20 0.44
RAB9A P51151 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8441885 1.00 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095356 0.94 CYP11B1 (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8428073 0.94 CYP11B1 (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8088609 0.89 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8425942 0.89 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095374 0.89 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8103827 0.85 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8102496 0.85 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8432635 0.85 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095394 0.85 FNTA (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2

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
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
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