SCHEMBL476386

SCHEMBL476386

O=C(NC(=O)C1(NCc2ccc(F)cc2)CCNCC1)c1sc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1OCCCO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
FABP4 P15090 2/20 0.31
MALT1 Q9UDY8 1/20 0.31
FABP5 Q01469 1/20 0.30
GCGR P47871 1/20 0.30
CNR2 P34972 1/20 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
SCHEMBL476352 0.97 CNR1 (0.37) CNR1SMN1; SMN2TP53MDM2CHRM2
SCHEMBL476225 0.94 CNR1 (0.38) CNR1TP53MDM2
SCHEMBL476316 0.92 CNR1 (0.37) CNR1SMN1; SMN2TP53MDM2CNR2
SCHEMBL476266 0.91 CNR1 (0.36) CNR1SMN1; SMN2TP53MDM2CNR2
SCHEMBL476375 0.91 CNR1 (0.37) CNR1SMN1; SMN2TP53MDM2CHRM2
SCHEMBL476391 0.91 CNR1 (0.39) CNR1TP53MDM2
SCHEMBL476431 0.91 CNR1 (0.36) CNR1SMN1; SMN2TP53MDM2CNR2
SCHEMBL476234 0.90 TP53 (0.36) CNR1TP53MDM2CHRM2CHRM1
SCHEMBL476344 0.88 CNR1 (0.31) CNR1
SCHEMBL476345 0.87 TP53 (0.37) CNR1TP53MDM2CHRM2CHRM1

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