SCHEMBL15517482

SCHEMBL15517482

Cc1nc2c(c(Nc3ccc(C(F)(F)F)nc3)n1)CCN(c1ncccc1C(F)(F)F)CC2

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.79

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
SCHEMBL4499251 0.89 TRPV1 (1.00) TRPV1
SCHEMBL5633145 0.89 TRPV1 (1.00) TRPV1
SCHEMBL4347247 0.89 TRPV1 (0.79) TRPV1
SCHEMBL4188599 0.88 TRPV1 (1.00) TRPV1
SCHEMBL4193529 0.88 TRPV1 (1.00) TRPV1
SCHEMBL5633849 0.87 TRPV1 (1.00) TRPV1
SCHEMBL4334175 0.87 TRPV1 (1.00) TRPV1
SCHEMBL4189583 0.87 TRPV1 (1.00) TRPV1
SCHEMBL5633936 0.86 TRPV1 (1.00) TRPV1
SCHEMBL4189555 0.86 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738649-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-22 US disclosed
US-8673895-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-8673895-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-8673895-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed