SCHEMBL7906852

SCHEMBL7906852

NC(=O)C1(NCc2ccccc2)CCN(C(=O)c2sc(-c3ccc(Cl)cc3Cl)c(C3=CCC(Cl)C=C3)c2OCCCO)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.33
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR2 P34972 1/20 0.31
CYP46A1 Q9Y6A2 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
SCHEMBL7907495 0.97 CNR1 (0.35) CNR1EPHX2ALDH1A1CNR2CYP46A1
SCHEMBL7906059 0.87 CNR1 (0.35) CNR1
SCHEMBL476268 0.87 CNR1 (0.41) CNR1EPHX2CNR2CYP46A1
SCHEMBL7906061 0.86 CNR1 (0.37) CNR1CNR2
Hydrochloric Acid SCHEMBL2682596 0.86 CNR1 (0.41) CNR1EPHX2CNR2CYP46A1
SCHEMBL2682864 0.84 CNR1 (0.42) CNR1EPHX2ALDH1A1CNR2CYP46A1
SCHEMBL476384 0.81 CNR1 (0.45) CNR1CNR2
SCHEMBL2683112 0.80 CNR1 (0.44) CNR1CNR2
SCHEMBL2681835 0.79 CNR1 (0.39) CNR1EPHX2CNR2CYP46A1
SCHEMBL476350 0.78 CNR1 (0.46) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed