SCHEMBL19819829

SCHEMBL19819829

CC(C)(C)OC(=O)N1CC=C(c2ncc(CCO)cc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.58

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
SCHEMBL14935918 0.87 TRPV1 (0.61) TRPV1
SCHEMBL4288502 0.86 TRPV1 (0.61) TRPV1
SCHEMBL19097419 0.84 TRPV1 (0.47) TRPV1
SCHEMBL4295999 0.84 TRPV1 (0.65) TRPV1
SCHEMBL21024180 0.83 TRPV1 (0.61) TRPV1
SCHEMBL13977697 0.82 TRPV1 (0.58) TRPV1
SCHEMBL4282902 0.82 TRPV1 (0.66) TRPV1
SCHEMBL4290118 0.82 TRPV1 (0.64) TRPV1
SCHEMBL14935781 0.82 TRPV1 (0.43) TRPV1
SCHEMBL14936024 0.82 TRPV1 (0.43) 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-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 US disclosed