SCHEMBL4537700

SCHEMBL4537700

O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.76
PTGS2 P35354 2/20 0.64
PTGS1 P23219 1/20 0.64
ABCB11 O95342 1/20 0.62

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
SCHEMBL3209668 0.91 CCR2 (0.74) CCR2ABCB11
SCHEMBL27658570 0.87 CCR2 (0.82) CCR2ABCB11
SCHEMBL6308068 0.87 CCR2 (0.73) CCR2PTGS2PTGS1ABCB11
SCHEMBL6306929 0.86 CCR2 (1.00) CCR2ABCB11
SCHEMBL2005378 0.86 CCR2 (0.73) CCR2ABCB11
SCHEMBL4537478 0.86 CCR2 (0.81) CCR2ABCB11
SCHEMBL4201841 0.86 CCR2 (0.77) CCR2ABCB11
SCHEMBL7076755 0.86 CCR2 (1.00) CCR2ABCB11
SCHEMBL8692473 0.84 CCR2 (0.72) CCR2ABCB11
SCHEMBL7008246 0.83 CCR2 (0.81) CCR2PTGS2PTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO claimed
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO disclosed