SCHEMBL8088415

SCHEMBL8088415

C[C@H](NC(=O)C1CCCN(CC(c2ccccc2)c2cccc(C(F)(F)F)c2)C1)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CCR2 P41597 1/20 0.39
FNTA P49354 10/20 0.39
FNTB P49356 9/20 0.39
PGGT1B P53609 7/20 0.39
CCR5 P51681 2/20 0.39
KCNH2 Q12809 1/20 0.39
GAA P10253 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
SCHEMBL446560 0.92 FNTA (0.45) CCR2FNTAFNTBPGGT1BCCR5
SCHEMBL8095888 0.91 FNTA (0.42) CCR2FNTAFNTBPGGT1BCCR5
SCHEMBL8097456 0.91 FNTA (0.44) FNTAFNTBPGGT1BCCR5KCNH2
SCHEMBL8095365 0.90 KDM4E (0.47) KDM4EOPRM1OPRD1CCR2FNTA
SCHEMBL8095560 0.89 FNTA (0.41) CCR2FNTAFNTBPGGT1BCCR5
SCHEMBL8095468 0.88 FNTA (0.43) CCR2FNTAFNTBPGGT1BCCR5
SCHEMBL8097931 0.87 KMT2A (0.51) CCR2FNTAFNTBPGGT1BCCR5
SCHEMBL8101380 0.86 FNTA (0.43) CCR2FNTAFNTBPGGT1BCCR5
SCHEMBL8088419 0.86 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
SCHEMBL8436084 0.86 FNTA (0.47) 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