SCHEMBL1850506

SCHEMBL1850506

NC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(-c3ccc(Br)cc3)c(-c3ccc(Cl)cc3Cl)s2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.49
CNR2 P34972 3/20 0.49
TACR2 P21452 5/20 0.38
TACR1 P25103 5/20 0.38
TP53 P04637 2/20 0.36
MDM2 Q00987 2/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL2159791 0.92 CNR1 (0.49) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL15063077 0.90 CNR1 (0.47) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL2158511 0.89 CNR1 (0.49) CNR1CNR2TACR2TACR1
SCHEMBL2159761 0.88 CNR1 (0.46) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL2158800 0.87 CNR1 (0.45) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL1848051 0.86 CNR1 (0.45) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL1848626 0.86 CNR1 (0.50) CNR1CNR2TACR2TACR1TP53
SCHEMBL5099240 0.86 TACR1 (0.46) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL2159789 0.86 CNR1 (0.44) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL1852006 0.85 CNR1 (0.44) CNR1CNR2TACR2TACR1CYP46A1

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