SCHEMBL5311653

SCHEMBL5311653

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.71
KCNH2 Q12809 1/20 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
SCHEMBL1358931 0.86 CCR2 (0.69) CCR2KCNH2
SCHEMBL1358934 0.86 CCR2 (0.69) CCR2KCNH2
SCHEMBL745956 0.85 CCR2 (0.84) CCR2KCNH2
SCHEMBL745957 0.85 CCR2 (0.84) CCR2KCNH2
SCHEMBL3654834 0.85 CCR2 (0.84) CCR2KCNH2
SCHEMBL1358899 0.84 CCR2 (0.82) CCR2KCNH2
SCHEMBL744991 0.79 CCR2 (1.00) CCR2
SCHEMBL4845439 0.79 CCR2 (1.00) CCR2
SCHEMBL4845427 0.79 CCR2 (1.00) CCR2
SCHEMBL745202 0.79 CCR2 (0.60) CCR2KCNH2

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
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed