SCHEMBL7682986

SCHEMBL7682986

CN(C)Cc1cc2c(cc(C(=O)O)n2Cc2ccc(Cl)c(Cl)c2)o1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.71
CCR2 P41597 18/20 0.57

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
SCHEMBL7683084 0.89 MAPT (0.61) ABCB11CCR2
SCHEMBL7680085 0.86 ABCB11 (0.73) ABCB11CCR2
SCHEMBL7691746 0.83 ABCB11 (1.00) ABCB11CCR2
SCHEMBL7679941 0.83 ABCB11 (0.78) ABCB11CCR2
SCHEMBL7682571 0.80 ABCB11 (0.73) ABCB11CCR2
SCHEMBL7505898 0.78 ABCB11 (0.70) ABCB11CCR2
SCHEMBL7681355 0.76 MAPT (0.61) ABCB11CCR2
SCHEMBL7682792 0.76 ABCB11 (0.67) ABCB11CCR2
SCHEMBL6993774 0.75 ABCB11 (0.68) ABCB11CCR2
SCHEMBL7680923 0.75 ABCB11 (0.65) ABCB11CCR2

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