SCHEMBL8095560

SCHEMBL8095560

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.41
FNTB P49356 16/20 0.41
PGGT1B P53609 12/20 0.41
KCNH2 Q12809 3/20 0.41
CCR5 P51681 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.39
CCR2 P41597 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 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 0.93 FNTA (0.45) FNTAFNTBPGGT1BKCNH2CCR5
SCHEMBL8095888 0.92 FNTA (0.42) FNTAFNTBPGGT1BKCNH2CCR5
SCHEMBL8097456 0.92 FNTA (0.44) FNTAFNTBPGGT1BKCNH2CCR5
SCHEMBL8095468 0.90 FNTA (0.43) FNTAFNTBPGGT1BKCNH2CCR5
SCHEMBL8088415 0.89 KDM4E (0.41) FNTAFNTBPGGT1BKCNH2CCR5
SCHEMBL8097931 0.88 KMT2A (0.51) FNTAFNTBPGGT1BKCNH2CCR5
SCHEMBL8101380 0.88 FNTA (0.43) FNTAFNTBPGGT1BKCNH2CCR5
SCHEMBL8095566 0.86 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8426008 0.86 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8095903 0.85 CYP11B1 (0.45) FNTAFNTBPGGT1BKCNH2CYP11B1

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