SCHEMBL4731791

SCHEMBL4731791

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.40
TMEM97 Q5BJF2 1/20 0.38
KCNH2 Q12809 1/20 0.38
TACR1 P25103 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL4732423 0.96 CETP (0.41) CETPTMEM97KCNH2TACR1
SCHEMBL4728130 0.90 CETP (0.40) CETPTMEM97KCNH2TACR1
SCHEMBL4728785 0.89 TMEM97 (0.41) CETPTMEM97KCNH2TACR1
SCHEMBL4731680 0.89 CETP (0.43) CETPTACR1
SCHEMBL4731307 0.89 CETP (0.44) CETPTACR1
SCHEMBL4782018 0.88 CETP (0.39) CETPTMEM97KCNH2TACR1
SCHEMBL4728797 0.84 CCR2 (0.38) CETPTACR1
SCHEMBL4729901 0.84 CETP (0.38) CETPTACR1
SCHEMBL4729348 0.83 CETP (0.38) CETPTACR1
SCHEMBL4730989 0.81 CETP (0.38) 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 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