SCHEMBL4080177

SCHEMBL4080177

CN(C)C1(Cc2cccc(F)c2)CCN(c2cc(C(F)(F)F)ccc2CCC(CNC(=O)c2ccccc2O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.62
OPRM1 P35372 7/20 0.62

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
SCHEMBL4079927 0.95 TRPV1 (0.68) TRPV1OPRM1
SCHEMBL4077948 0.95 TRPV1 (0.55) TRPV1OPRM1
SCHEMBL4075362 0.89 TRPV1 (0.59) TRPV1OPRM1
SCHEMBL4083983 0.85 TRPV1 (0.51) TRPV1OPRM1
SCHEMBL4080172 0.81 TRPV1 (0.89) TRPV1OPRM1
SCHEMBL2527167 0.81 TRPV1 (0.61) TRPV1
SCHEMBL2531659 0.80 TRPV1 (0.48) TRPV1
SCHEMBL2532669 0.80 TRPV1 (0.57) TRPV1
SCHEMBL2531834 0.79 TRPV1 (0.49) TRPV1
SCHEMBL2527940 0.77 TRPV1 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083922-A1 VR1 RECEPTOR LIGANDS AND µ OPIOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-08-05 EP claimed
WO-2008046647-A1 VR1 RECEPTOR LIGANDS AND µ OPIOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2008-04-24 WO claimed
EP-2083922-A1 VR1 RECEPTOR LIGANDS AND µ OPIOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-08-05 EP disclosed
WO-2008046647-A1 VR1 RECEPTOR LIGANDS AND µ OPIOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2008-04-24 WO disclosed