SCHEMBL8097930

SCHEMBL8097930

C[C@H](NC(=O)C1CCCN(c2ccccc2)C1)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.46
FNTB P49356 14/20 0.46
PGGT1B P53609 9/20 0.46
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
CCR5 P51681 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
KCNH2 Q12809 1/20 0.42
PRKAA2 P54646 1/20 0.42

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
SCHEMBL8098508 0.92 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8097915 0.87 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8098226 0.87 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8103720 0.86 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8101510 0.86 ALOX12 (0.49) FNTAFNTBPGGT1B
SCHEMBL446560 0.86 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095903 0.86 CYP11B1 (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095915 0.86 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8097931 0.86 KMT2A (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8088439 0.86 FNTA (0.52) 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