SCHEMBL4728797

SCHEMBL4728797

COc1cc(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C2(CC3CCOCC3)CCNC2)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.38
CETP P11597 13/20 0.36
TACR1 P25103 2/20 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
SCHEMBL4729901 0.89 CETP (0.38) CCR2CETPTACR1
SCHEMBL4730989 0.88 CETP (0.38) CCR2CETPTACR1
SCHEMBL4728683 0.86 KDM4E (0.40) CETPTACR1
SCHEMBL4728130 0.86 CETP (0.40) CETPTACR1
SCHEMBL4782018 0.84 CETP (0.39) CETPTACR1
SCHEMBL4731791 0.84 CETP (0.40) CETPTACR1
SCHEMBL4729719 0.84 CCR2 (0.37) CCR2CETPTACR1
SCHEMBL4732027 0.83 TACR1 (0.38) TACR1
SCHEMBL4729348 0.83 CETP (0.38) CCR2CETPTACR1
SCHEMBL4732208 0.82 CCR2 (0.36) CCR2CETPTACR1

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