SCHEMBL1397462

SCHEMBL1397462

O=C(c1cc(Cl)cc2cc[nH]c12)N(CCc1ccc(Cl)c(Cl)c1)Cc1cc2ccc(C(F)(F)F)cc2o1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MAOB P27338 1/20 0.32
KCNMA1 Q12791 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CSNK1D P48730 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
NR1I3 Q14994 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1397686 0.88 TP53 (0.35) MAOB
SCHEMBL1397802 0.88 MAOB (0.36) MAOB
SCHEMBL1397640 0.87 IKBKB (0.38) MAOBLMNAHPGD
SCHEMBL1397538 0.85 THRB (0.32) MAOB
SCHEMBL1397683 0.83 MAPT (0.33) MAOBHPGD
SCHEMBL1397655 0.83 MAPT (0.35) MAOB
SCHEMBL1397731 0.83 TP53 (0.32) MAOB
SCHEMBL1397443 0.83 OPRM1 (0.31)
SCHEMBL1385185 0.77 LMNA (0.38) PPARGPPARDPPARALMNAHPGD
SCHEMBL1397663 0.76 C5AR1 (0.34) CCR2MAOBNR1I3

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
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed