SCHEMBL8098508

SCHEMBL8098508

Cc1cccc(N2CCCC(C(=O)N[C@@H](C)c3cncn3Cc3ccc(C#N)cc3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.45
FNTB P49356 12/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
PGGT1B P53609 9/20 0.43
GPBAR1 Q8TDU6 3/20 0.42
NOTUM Q6P988 1/20 0.40
KCNH2 Q12809 1/20 0.40
ERG P11308 1/20 0.40
BCL9 O00512 2/20 0.40
CTNNB1 P35222 2/20 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
SCHEMBL8097930 0.92 FNTA (0.46) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8095888 0.85 FNTA (0.42) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8437320 0.84 GPBAR1 (0.52) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8098513 0.84 GPBAR1 (0.52) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8103795 0.83 CYP11B1 (0.41) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8097850 0.82 FNTA (0.52) FNTAFNTBPGGT1BKCNH2
SCHEMBL8088935 0.82 FNTA (0.52) FNTAFNTBPGGT1BKCNH2
SCHEMBL8095903 0.82 CYP11B1 (0.45) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8098226 0.82 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8097915 0.82 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2PGGT1B

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