SCHEMBL3660685

SCHEMBL3660685

O=C(NCc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1CNCCCO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.41
GCGR P47871 9/20 0.40
DDR1 Q08345 2/20 0.40
EPHX2 P34913 2/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
GCG P01275 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NLRP1 Q9C000 1/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 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
SCHEMBL3111104 0.90 DDR1 (0.44) PPARDGCGRDDR1EPHX2CNR1
SCHEMBL3100296 0.87 DDR1 (0.45) PPARDGCGRDDR1EPHX2CNR1
SCHEMBL3107244 0.85 PPARD (0.44) PPARDGCGRDDR1EPHX2CNR1
SCHEMBL3113330 0.85 DDR1 (0.41) PPARDGCGRDDR1EPHX2CNR1
SCHEMBL3115892 0.85 DDR1 (0.43) PPARDDDR1EPHX2CNR1CNR2
SCHEMBL3108216 0.84 PPARD (0.42) PPARDGCGRDDR1EPHX2CNR1
SCHEMBL3102420 0.84 CNR1 (0.41) PPARDGCGRDDR1EPHX2CNR1
SCHEMBL3114614 0.83 DDR1 (0.44) PPARDDDR1EPHX2CNR1CNR2
SCHEMBL3112367 0.83 CNR1 (0.42) PPARDGCGREPHX2CNR1CNR2
SCHEMBL3111640 0.83 CNR1 (0.44) PPARDGCGRDDR1EPHX2CNR1

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