SCHEMBL4729901

SCHEMBL4729901

COc1cc(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C2(CC3CCC3)CCNCC2)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.38
TACR1 P25103 5/20 0.38
CCR2 P41597 2/20 0.36

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
SCHEMBL4729348 0.89 CETP (0.38) CETPTACR1CCR2
SCHEMBL4728797 0.89 CCR2 (0.38) CETPTACR1CCR2
SCHEMBL4732423 0.86 CETP (0.41) CETPTACR1
SCHEMBL4730989 0.86 CETP (0.38) CETPTACR1CCR2
SCHEMBL4728130 0.85 CETP (0.40) CETPTACR1
SCHEMBL4728683 0.84 KDM4E (0.40) CETPTACR1
SCHEMBL4731791 0.84 CETP (0.40) CETPTACR1
SCHEMBL4782018 0.84 CETP (0.39) CETPTACR1
SCHEMBL4732027 0.81 TACR1 (0.38) TACR1
SCHEMBL4728785 0.80 TMEM97 (0.41) CETPTACR1

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