SCHEMBL1852006

SCHEMBL1852006

C#CCOc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)(c4ccccc4)CC3)sc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
TACR2 P21452 8/20 0.37
TACR1 P25103 8/20 0.37
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.34
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
SCHEMBL1857735 0.95 CNR1 (0.44) CNR1CNR2TACR2TACR1MMP1
SCHEMBL2159761 0.91 CNR1 (0.46) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL1848051 0.89 CNR1 (0.45) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL2158511 0.88 CNR1 (0.49) CNR1CNR2TACR2TACR1MEN1
SCHEMBL2158648 0.86 CNR1 (0.46) CNR1CNR2TACR2TACR1
SCHEMBL2159388 0.86 CNR1 (0.44) CNR1CNR2TACR2TACR1
SCHEMBL2159487 0.86 HRH3 (0.45) CNR1CNR2TACR2TACR1ALDH1A1
SCHEMBL2159791 0.86 CNR1 (0.49) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL2158368 0.85 CNR1 (0.43) CNR1CNR2TACR2TACR1
SCHEMBL2159375 0.85 CNR1 (0.41) CNR1CNR2TACR2TACR1ALDH1A1

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