SCHEMBL8095903

SCHEMBL8095903

CC(C)CN1CCCC(C(=O)N[C@@H](C)c2cncn2Cc2ccc(C#N)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
FNTA P49354 16/20 0.43
FNTB P49356 16/20 0.43
PGGT1B P53609 13/20 0.43
KCNH2 Q12809 1/20 0.43
CYP19A1 P11511 1/20 0.40

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
SCHEMBL446560 0.92 FNTA (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097931 0.91 KMT2A (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8098288 0.89 FNTA (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8095468 0.89 FNTA (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8088439 0.88 FNTA (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8101380 0.88 FNTA (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8104352 0.88 FNTA (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097380 0.87 FNTA (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8101584 0.87 FNTA (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097850 0.87 FNTA (0.52) FNTAFNTBPGGT1BKCNH2

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 1 patent. 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