SCHEMBL476418

SCHEMBL476418

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

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.32
CNR2 P34972 2/20 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
SCHEMBL476344 0.97 CNR1 (0.31) CNR1
SCHEMBL476352 0.88 CNR1 (0.37) CNR1CNR2
SCHEMBL476391 0.87 CNR1 (0.39) CNR1
SCHEMBL476386 0.85 CNR1 (0.36) CNR1CNR2
SCHEMBL476225 0.84 CNR1 (0.38) CNR1
SCHEMBL476375 0.82 CNR1 (0.37) CNR1CNR2
SCHEMBL476368 0.82 PTGDR2 (0.35) CNR1CNR2
SCHEMBL476316 0.82 CNR1 (0.37) CNR1CNR2
SCHEMBL476431 0.81 CNR1 (0.36) CNR1CNR2
SCHEMBL476416 0.81 CNR1 (0.42) 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 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