SCHEMBL4782016

SCHEMBL4782016

COCC1(C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC2CCOCC2)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.38
TACR1 P25103 10/20 0.35
CETP P11597 1/20 0.35
SLC6A4 P31645 2/20 0.34
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL4732645 0.87 CCR2 (0.42) CCR2TACR1SLC6A4
SCHEMBL4780748 0.87 CCR2 (0.41) CCR2TACR1SLC6A4TSHRCYP2D6
SCHEMBL4727699 0.86 CETP (0.39) CCR2TACR1CETP
SCHEMBL4731707 0.85 TACR1 (0.41) CCR2TACR1SLC6A4
SCHEMBL4729719 0.84 CCR2 (0.37) CCR2TACR1CETPSLC6A4TSHR
SCHEMBL4728688 0.83 CCR2 (0.36) CCR2TACR1SLC6A4
SCHEMBL4732208 0.83 CCR2 (0.36) CCR2TACR1CETPSLC6A4TSHR
SCHEMBL4731339 0.82 CCR2 (0.40) CCR2TACR1SLC6A4CYP2D6
SCHEMBL4731859 0.81 GPBAR1 (0.39) CCR2TACR1
SCHEMBL4728797 0.76 CCR2 (0.38) CCR2TACR1CETP

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