SCHEMBL476376

SCHEMBL476376

NC(=O)C1(NCc2ccc(F)cc2)CCN(C(=O)c2sc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2OCCNC(O)C=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.41
CNR2 P34972 1/20 0.36
HTR1A P08908 3/20 0.33
TP53 P04637 2/20 0.32
MDM2 Q00987 2/20 0.32
KIT P10721 2/20 0.32
F10 P00742 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
SCHEMBL476350 0.90 CNR1 (0.46) CNR1CNR2TP53MDM2KIT
SCHEMBL476428 0.89 CNR1 (0.44) CNR1CNR2HTR1ATP53MDM2
SCHEMBL6014240 0.88 CNR1 (0.45) CNR1CNR2TP53MDM2KIT
SCHEMBL476384 0.88 CNR1 (0.45) CNR1CNR2TP53MDM2KIT
SCHEMBL476263 0.88 CNR1 (0.44) CNR1CNR2HTR1ATP53MDM2
SCHEMBL2681558 0.88 CNR1 (0.42) CNR1CNR2HTR1ATP53MDM2
SCHEMBL2683112 0.88 CNR1 (0.44) CNR1CNR2TP53MDM2KIT
SCHEMBL2682017 0.88 CNR1 (0.42) CNR1CNR2HTR1ATP53MDM2
SCHEMBL476270 0.85 CNR1 (0.44) CNR1CNR2TP53MDM2F10
SCHEMBL2682890 0.84 CNR1 (0.40) CNR1CNR2TP53MDM2KIT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP claimed
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