SCHEMBL1857735

SCHEMBL1857735

C#CCOc1ccc(-c2sc(C(=O)N3CCC(C(N)=O)(c4ccccc4)CC3)cc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
TACR2 P21452 8/20 0.38
TACR1 P25103 8/20 0.38
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL1852006 0.95 CNR1 (0.44) CNR1CNR2TACR2TACR1MMP1
SCHEMBL2158648 0.90 CNR1 (0.46) CNR1CNR2TACR2TACR1
SCHEMBL1849351 0.89 CNR1 (0.45) CNR1CNR2TACR2TACR1
SCHEMBL1848918 0.89 CNR1 (0.45) CNR1CNR2TACR2TACR1
Hydrochloric Acid SCHEMBL2158909 0.88 CNR1 (0.44) CNR1CNR2TACR2TACR1
SCHEMBL1848297 0.87 CNR1 (0.49) CNR1CNR2TACR2TACR1
SCHEMBL1847922 0.86 CNR1 (0.44) CNR1CNR2TACR2TACR1
SCHEMBL1848626 0.85 CNR1 (0.50) CNR1CNR2TACR2TACR1
SCHEMBL1847880 0.85 CNR1 (0.44) CNR1CNR2TACR2TACR1
SCHEMBL2158357 0.85 CNR1 (0.44) CNR1CNR2TACR2TACR1

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-2324015-B1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-07-03 EP disclosed
EP-2324015-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2011-05-25 EP disclosed
WO-2010012964-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-04 WO disclosed