SCHEMBL27600558

SCHEMBL27600558

COc1nc(Nc2ccc(C(C)(C)C)cc2)c2ncc(-c3ncccc3C(F)(F)F)cc2n1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 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
SCHEMBL27600463 0.88 TRPV1 (0.55) TRPV1
SCHEMBL27600421 0.87 TRPV1 (0.61) TRPV1
SCHEMBL4973100 0.87 TRPV1 (0.71) TRPV1
SCHEMBL4974564 0.85 TRPV1 (0.68) TRPV1
SCHEMBL27618889 0.82 TRPV1 (0.77) TRPV1
SCHEMBL14283441 0.81 TRPV1 (0.79) TRPV1
SCHEMBL4972443 0.79 TRPV1 (0.68) TRPV1
SCHEMBL27600469 0.79 TRPV1 (0.68) TRPV1
SCHEMBL4973571 0.79 TRPV1 (0.78) TRPV1
SCHEMBL14283447 0.78 TRPV1 (0.69) 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
CN-1627944-A Substituted quinazolin-4-ylamine analogues as capsaicin modulators NEUROGEN CORP (US) 2005-06-15 CN claimed