SCHEMBL8097467

SCHEMBL8097467

C[C@H](NCC1CCCN(CC(c2ccccc2)c2ccccc2)C1)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.45
FNTA P49354 17/20 0.43
FNTB P49356 17/20 0.43
PGGT1B P53609 12/20 0.42
KCNH2 Q12809 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 1/20 0.39

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
SCHEMBL8104362 0.87 DPP4 (0.36)
SCHEMBL446560 0.83 FNTA (0.45) CCR2FNTAFNTBPGGT1BKCNH2
SCHEMBL8097470 0.83 FNTA (0.54) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8431360 0.83 FNTA (0.54) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8095468 0.80 FNTA (0.43) CCR2FNTAFNTBPGGT1BKCNH2
SCHEMBL8095385 0.80 FNTA (0.46) CCR2FNTAFNTBPGGT1BKCNH2
SCHEMBL8097456 0.79 FNTA (0.44) FNTAFNTBPGGT1BKCNH2
SCHEMBL8095888 0.79 FNTA (0.42) CCR2FNTAFNTBPGGT1BKCNH2
SCHEMBL8088215 0.78 FNTA (0.48) CCR2FNTAFNTBPGGT1BKCNH2
SCHEMBL8088216 0.78 FNTA (0.48) CCR2FNTAFNTBPGGT1BKCNH2

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