SCHEMBL7682483

SCHEMBL7682483

Nc1cccc(-c2cc3c(cc(C(=O)O)n3Cc3ccc(Cl)c(Cl)c3)s2)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.58
ABCB11 O95342 3/20 0.56

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
SCHEMBL7678341 0.87 MAPT (0.47) CCR2ABCB11
SCHEMBL4093522 0.81 CCR2 (0.53) CCR2ABCB11
SCHEMBL7683277 0.81 ABCB11 (0.65) CCR2ABCB11
SCHEMBL6302442 0.80 CCR2 (0.82) CCR2ABCB11
SCHEMBL7680370 0.77 ABCB11 (0.67) CCR2ABCB11
SCHEMBL7682880 0.77 ABCB11 (0.67) CCR2ABCB11
SCHEMBL6302599 0.74 CCR2 (1.00) CCR2ABCB11
SCHEMBL4097147 0.73 CCR2 (0.52) CCR2ABCB11
SCHEMBL6301048 0.73 CCR2 (1.00) CCR2ABCB11
SCHEMBL7673214 0.72 ABCB11 (1.00) CCR2ABCB11

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-6479527-B1 Bicyclic pyrrole derivatives as MCP-1 inhibitors ASTRAZENECA UK LIMITED (GB) 2002-11-12 US disclosed