SCHEMBL476368

SCHEMBL476368

O=C(NC(=O)C1(c2ccccc2)CCNCC1)c1sc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1OCCO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
EPHX2 P34913 1/20 0.35
CNR1 P21554 9/20 0.34
ROCK2 O75116 1/20 0.34
TACR1 P25103 1/20 0.33
HDAC1 Q13547 1/20 0.33
OPRM1 P35372 1/20 0.32
CNR2 P34972 2/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32

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
SCHEMBL476255 0.97 PTGDR2 (0.34) PTGDR2EPHX2CNR1ROCK2TACR1
SCHEMBL476410 0.91 PRKAB2 (0.35) PTGDR2EPHX2CNR1ROCK2TACR1
SCHEMBL476455 0.91 PTGDR2 (0.35) PTGDR2CNR1ROCK2TACR1HDAC1
SCHEMBL476251 0.91 PTGDR2 (0.32) PTGDR2EPHX2CNR1ROCK2TACR1
SCHEMBL476315 0.90 ROCK2 (0.35) PTGDR2EPHX2CNR1ROCK2TACR1
SCHEMBL476391 0.87 CNR1 (0.39) CNR1
SCHEMBL476187 0.86 ROCK2 (0.37) PTGDR2EPHX2CNR1ROCK2TACR1
SCHEMBL476277 0.86 PTGDR2 (0.33) PTGDR2ROCK2TACR1HDAC1OPRM1
SCHEMBL476225 0.84 CNR1 (0.38) CNR1
SCHEMBL476418 0.82 CNR1 (0.32) CNR1CNR2

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 disclosed
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 disclosed