SCHEMBL4727704

SCHEMBL4727704

COc1ccc(CC(C2CCOCC2)C2(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.51
TACR1 P25103 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL4731860 0.84 CCR2 (0.49) CCR2TACR1KCNH2
SCHEMBL4731341 0.79 CCR2 (0.56) CCR2
SCHEMBL4729722 0.79 CCR2 (0.53) CCR2TACR1
SCHEMBL4728693 0.77 CCR2 (0.51) CCR2TACR1
SCHEMBL4732209 0.77 CCR2 (0.51) CCR2TACR1
SCHEMBL4732759 0.72 CCR2 (0.49) CCR2
SCHEMBL4731999 0.71 CCR2 (0.49) CCR2
SCHEMBL14513630 0.71 CCR2 (0.81) CCR2
SCHEMBL3039259 0.71 CCR2 (0.48) CCR2KCNH2
SCHEMBL4733318 0.70 CCR2 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO claimed
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO disclosed