SCHEMBL4435548

SCHEMBL4435548

CC1CCN(c2nc(C(C)(C)C)ccc2CNC(=O)C(C)c2ccc3nc(NC(=O)O)sc3c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.66

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
SCHEMBL4137650 0.94 TRPV1 (0.66) TRPV1
SCHEMBL4431113 0.93 TRPV1 (0.67) TRPV1
SCHEMBL4141271 0.91 TRPV1 (0.62) TRPV1
SCHEMBL4146443 0.89 TRPV1 (0.69) TRPV1
SCHEMBL4138375 0.87 TRPV1 (0.72) TRPV1
SCHEMBL4137104 0.87 TRPV1 (0.67) TRPV1
SCHEMBL15875914 0.86 TRPV1 (0.63) TRPV1
SCHEMBL4140890 0.83 TRPV1 (0.74) TRPV1
SCHEMBL4435553 0.83 TRPV1 (0.44) TRPV1
SCHEMBL4140635 0.82 TRPV1 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137178-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2009-12-30 EP disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed