SCHEMBL2535616

SCHEMBL2535616

CS(=O)(=O)CCC(N)n1c(C(=O)O)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
MARS1 P56192 4/20 0.36
SRD5A2 P31213 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL4513922 0.89 CNR1 (0.38) CNR1DPP4
SCHEMBL2536778 0.79 CNR1 (0.48) CNR1MARS1SRD5A2
SCHEMBL2535613 0.78 CNR1 (0.44) CNR1MARS1SRD5A2
SCHEMBL1260378 0.75 CNR1 (0.49) CNR1MARS1SRD5A2
SCHEMBL2541063 0.71 GABRA2 (0.44) CNR1DPP4DPP8DPP9
SCHEMBL4513915 0.71 CNR1 (0.44) CNR1DPP4
SCHEMBL2535608 0.70 CNR1 (0.62) CNR1
SCHEMBL2539520 0.70 CNR1 (0.45) CNR1DPP4DPP8DPP9
SCHEMBL2570109 0.69 ESR1 (0.51) CNR1MARS1SRD5A2
SCHEMBL2906434 0.69 HSD11B1 (0.47) CNR1

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
US-8044072-B2 Pyrrole derivatives, preparation thereof and therapeutic use thereof SANOFI AVENTIS (FR) 2011-10-25 US disclosed