SCHEMBL15655293

SCHEMBL15655293

CN(C)c1nc2c(c(Nc3ccc(C(=O)O)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.85

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
SCHEMBL5633192 0.92 TRPV1 (1.00) TRPV1
Trifluoroacetic Acid SCHEMBL5632135 0.91 TRPV1 (0.94) TRPV1
Trifluoroacetic Acid SCHEMBL5633072 0.90 TRPV1 (0.77) TRPV1
Trifluoroacetic Acid SCHEMBL5632164 0.90 TRPV1 (0.89) TRPV1
SCHEMBL15679710 0.89 TRPV1 (0.86) TRPV1
SCHEMBL4200514 0.89 TRPV1 (1.00) TRPV1
SCHEMBL4343430 0.89 TRPV1 (0.86) TRPV1
Trifluoroacetic Acid SCHEMBL17994154 0.89 TRPV1 (0.89) TRPV1
Trifluoroacetic Acid SCHEMBL5634007 0.88 TRPV1 (0.79) TRPV1
SCHEMBL15697568 0.88 TRPV1 (1.00) 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
EP-2024368-B1 6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPIN-4-YL]-AMINE DERIVATIVES AS MODULATORS OF TRPV1 FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2014-04-30 EP claimed