SCHEMBL14337646

SCHEMBL14337646

O=S(=O)(NCCCCI)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.64

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
SCHEMBL14307883 0.92 TRPV1 (0.66) TRPV1
SCHEMBL4975272 0.92 TRPV1 (0.66) TRPV1
SCHEMBL4975461 0.83 TRPV1 (0.72) TRPV1
SCHEMBL4974085 0.83 TRPV1 (0.70) TRPV1
SCHEMBL14318782 0.83 TRPV1 (0.72) TRPV1
SCHEMBL4975516 0.83 TRPV1 (0.75) TRPV1
SCHEMBL4976247 0.83 TRPV1 (0.75) TRPV1
SCHEMBL4973528 0.82 TRPV1 (0.69) TRPV1
SCHEMBL4976351 0.81 TRPV1 (0.67) TRPV1
SCHEMBL27619086 0.81 TRPV1 (0.69) TRPV1

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-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed