SCHEMBL13189776

SCHEMBL13189776

COc1c(Cl)cc(-c2csc(NC(=O)Cc3c(C)oc4c3c(=O)n(C)c(=O)n4C)n2)cc1Cl

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.82
▸ TRPV4 Q9HBA0 4/20 0.72
▸ TRPV3 Q8NET8 2/20 0.72
▸ TRPV1 Q8NER1 1/20 0.59

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
SCHEMBL10275203 0.91 TRPA1 (0.80) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10275117 0.90 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10275149 0.89 TRPA1 (0.85) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10275419 0.89 TRPA1 (0.83) TRPA1TRPV4TRPV3TRPV1
SCHEMBL14227825 0.88 TRPA1 (0.79) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10275146 0.85 TRPA1 (0.85) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10275058 0.84 TRPA1 (0.89) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10275843 0.84 TRPA1 (0.82) TRPA1TRPV4TRPV3TRPV1
SCHEMBL9933055 0.84 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10275591 0.83 TRPA1 (0.78) TRPA1TRPV4TRPV3TRPV1

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-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 — — WO disclosed
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