SCHEMBL3711570

SCHEMBL3711570

CCC(C)(NC(=O)c1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1CN(C)CCC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.36
DPP4 P27487 1/20 0.34
PDE2A O00408 5/20 0.33
CFTR P13569 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 2/20 0.32
S1PR1 P21453 1/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
PPARD Q03181 1/20 0.32
GPR35 Q9HC97 1/20 0.32
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
GCGR P47871 1/20 0.31
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL3105773 0.85 PPARD (0.40) MALT1DPP4CNR1CNR2TACR2
SCHEMBL3711567 0.78 KDM4E (0.34) DPP4CNR1S1PR1GCGR
SCHEMBL3108345 0.78 PPARD (0.41) MALT1DPP4CNR1CNR2PPARD
SCHEMBL3113330 0.77 DDR1 (0.41) MALT1DPP4CNR1CNR2TACR2
SCHEMBL3100310 0.75 EPHX2 (0.40) DPP4CNR1CNR2PPARDGCGR
SCHEMBL3100296 0.72 DDR1 (0.45) MALT1DPP4CNR1CNR2PPARD
SCHEMBL3111104 0.71 DDR1 (0.44) MALT1DPP4CNR1CNR2PPARD
SCHEMBL3107244 0.70 PPARD (0.44) MALT1DPP4CNR1CNR2PPARD
SCHEMBL3114614 0.69 DDR1 (0.44) CNR1CNR2PPARD
SCHEMBL3108216 0.68 PPARD (0.42) CNR1CNR2PPARDGCGR

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
EP-2209768-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-28 EP disclosed
WO-2009087285-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-07-16 WO disclosed