SCHEMBL4782017

SCHEMBL4782017

COCC1(C(=O)NC(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCOCC2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.41
TACR1 P25103 1/20 0.38
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4732647 0.88 CCR2 (0.43) CCR2TACR1
SCHEMBL4780749 0.86 CCR2 (0.46) CCR2TACR1
SCHEMBL4731708 0.85 TACR1 (0.45) CCR2TACR1
SCHEMBL4782016 0.74 CCR2 (0.38) CCR2TACR1CYP2D6TSHR
SCHEMBL4727704 0.70 CCR2 (0.51) CCR2TACR1
SCHEMBL3023614 0.69 CCR2 (0.51) CCR2CYP2D6TSHR
SCHEMBL4732759 0.65 CCR2 (0.49) CCR2
SCHEMBL4727699 0.65 CETP (0.39) CCR2TACR1
SCHEMBL4731341 0.65 CCR2 (0.56) CCR2
SCHEMBL4731356 0.65 TACR1 (0.44) CCR2TACR1CYP2D6TSHR

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