SCHEMBL8665495

SCHEMBL8665495

CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)N1CCC(NC(=O)c3ccccc3)C1=O)c1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 15/20 0.35
▸ KCNH2 Q12809 5/20 0.34
▸ CCR5 P51681 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8668024 0.89 CCR3 (0.35) GAANPSR1
SCHEMBL8485545 0.85 NPSR1 (0.40) GAANPSR1
SCHEMBL8665883 0.84 NPSR1 (0.37) CCR2NPSR1
SCHEMBL8501239 0.84 NPSR1 (0.33) GAANPSR1
SCHEMBL8484461 0.83 NPSR1 (0.39) GAANPSR1
SCHEMBL8666099 0.82 NPSR1 (0.36) CCR2NPSR1
SCHEMBL8501052 0.82 NPSR1 (0.33) GAANPSR1
SCHEMBL8501003 0.79 CTSL (0.36) SCN9A
SCHEMBL8665488 0.78 CCR2 (0.37) CCR2KCNH2CCR5
SCHEMBL8578880 0.77 TRPV1 (0.32) —

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-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US claimed
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