SCHEMBL8095356

SCHEMBL8095356

COc1cccc(CN2CCC[C@H](C(=O)NCCc3cncn3Cc3ccc(C#N)cc3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
FNTA P49354 12/20 0.49
FNTB P49356 12/20 0.49
PGGT1B P53609 11/20 0.49
KCNH2 Q12809 3/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM4 P08173 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
SCHEMBL8428073 1.00 CYP11B1 (0.51) CYP11B1CYP11B2KMT2AMEN1FNTA
SCHEMBL8441885 0.94 FNTA (0.49) CYP11B1CYP11B2KMT2AFNTAFNTB
SCHEMBL8102502 0.94 FNTA (0.49) CYP11B1CYP11B2KMT2AFNTAFNTB
SCHEMBL8432635 0.91 FNTA (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8103827 0.91 FNTA (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8088941 0.90 KCNH2 (0.59) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097856 0.90 KCNH2 (0.59) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8095394 0.90 FNTA (0.60) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8088212 0.89 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8530784 0.89 FNTA (0.51) 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
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