SCHEMBL476410

SCHEMBL476410

CC(=O)NCCOc1c(C(=O)NC(=O)C2(c3ccccc3)CCNCC2)sc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
EPHX2 P34913 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TACR1 P25103 1/20 0.33
CNR1 P21554 5/20 0.32
PPARD Q03181 1/20 0.32
ROCK2 O75116 1/20 0.32
OPRM1 P35372 1/20 0.32
ALPL P05186 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 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
SCHEMBL476368 0.91 PTGDR2 (0.35) EPHX2PTGDR2TACR1CNR1ROCK2
SCHEMBL476255 0.90 PTGDR2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL476251 0.88 PTGDR2 (0.32) EPHX2PTGDR2TACR1CNR1ROCK2
SCHEMBL476315 0.87 ROCK2 (0.35) EPHX2PTGDR2TACR1CNR1ROCK2
SCHEMBL476277 0.86 PTGDR2 (0.33) PTGDR2TACR1ROCK2OPRM1HDAC1
SCHEMBL476455 0.84 PTGDR2 (0.35) PTGDR2TACR1CNR1ROCK2OPRM1
SCHEMBL476431 0.83 CNR1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL476187 0.83 ROCK2 (0.37) EPHX2PTGDR2TACR1CNR1ROCK2
SCHEMBL476266 0.81 CNR1 (0.36) CNR1
SCHEMBL476407 0.80 CNR1 (0.47) TACR1CNR1

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-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP claimed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO claimed