SCHEMBL4731572

SCHEMBL4731572

COc1ccc(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C2(CC(C)C)CCNCC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
CETP P11597 15/20 0.37
TACR1 P25103 1/20 0.36
GPBAR1 Q8TDU6 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
SCHEMBL4731307 0.85 CETP (0.44) CETPTACR1
SCHEMBL4731680 0.83 CETP (0.43) CETPTACR1
SCHEMBL4732423 0.83 CETP (0.41) CETPTACR1
SCHEMBL4731216 0.82 CCR2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4731354 0.80 TACR1 (0.40) TACR1GPBAR1
SCHEMBL4731791 0.79 CETP (0.40) CETPTACR1
SCHEMBL4728785 0.79 TMEM97 (0.41) CETPTACR1
SCHEMBL4728949 0.79 TACR1 (0.35) CETPTACR1
SCHEMBL4731447 0.78 PTGDR2 (0.42) TACR1
SCHEMBL3998806 0.75 TACR1 (0.34) 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