SCHEMBL9709998

SCHEMBL9709998

Cc1c(N=C=O)cc2c(N=C=O)c1CCCCCC2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL11246297 0.77 CYP3A4 (0.33) CYP3A4TRPA1
SCHEMBL19791962 0.74 TRPA1 (0.32) CYP3A4TRPA1
SCHEMBL19791889 0.73 CYP3A4 (0.35) CYP3A4TRPA1
SCHEMBL3685073 0.72 CYP3A4 (0.47) CYP3A4TRPA1
SCHEMBL1712846 0.72 CYP3A4 (0.47) CYP3A4TRPA1
SCHEMBL6867779 0.72 TRPA1 (0.33) CYP3A4TRPA1
SCHEMBL20681025 0.71 TRPA1 (0.32) CYP3A4TRPA1
SCHEMBL30120778 0.71 CYP3A4 (0.36) CYP3A4TRPA1
SCHEMBL19791885 0.71 CYP3A4 (0.36) CYP3A4TRPA1
SCHEMBL3676678 0.70 CYP3A4 (0.48) CYP3A4TRPA1

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-1992019656-A1 COATING COMPOSITION AND METHOD TECHNICAL COATINGS LABORATORY, INC. (US) 1992-11-12 WO disclosed