SCHEMBL6670016

SCHEMBL6670016

NC(=O)C1=CN2CN=Cc3cccc(c32)C1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36

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
SCHEMBL9680591 0.77 TRPA1 (0.32) TRPA1
SCHEMBL6667856 0.70 TRPA1 (0.36) TRPA1
SCHEMBL6668777 0.68 TRPA1 (0.31) TRPA1
SCHEMBL7258261 0.68 PARP1 (0.36)
Water SCHEMBL10588716 0.63 MAOA (0.34)
SCHEMBL2860722 0.62 MAOA (0.49) TRPA1
SCHEMBL29541321 0.62 MAOA (0.49) TRPA1
SCHEMBL7262363 0.62 PARP1 (0.31)
SCHEMBL35212185 0.60 TRPA1 (0.32) TRPA1
SCHEMBL6982539 0.60 PARP1 (0.36)

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-2004019933-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed