SCHEMBL8089019

SCHEMBL8089019

CC(c1cccc2ccccc12)N1CCCC(C(=O)N[C@@H](C)c2cncn2Cc2ccc(C#N)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.46
FNTB P49356 11/20 0.46
PGGT1B P53609 8/20 0.46
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KCNH2 Q12809 1/20 0.38

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
SCHEMBL8097915 0.89 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8089024 0.86 FNTA (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8432735 0.86 FNTA (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8098226 0.86 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8105132 0.85 ALDH1A1 (0.46) FNTAFNTBPGGT1B
SCHEMBL8097930 0.83 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8103720 0.81 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8101510 0.81 ALOX12 (0.49) FNTAFNTBPGGT1B
SCHEMBL446560 0.81 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8101584 0.80 FNTA (0.43) 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 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