SCHEMBL31429147

SCHEMBL31429147

FC(F)(F)c1cccnc1-c1nnc(S)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.42
EPHX2 P34913 1/20 0.37
ADRA1A P35348 1/20 0.36
NPY5R Q15761 1/20 0.35

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
SCHEMBL31429068 0.76 HSD11B1 (0.45) NPY5R
SCHEMBL15624412 0.75 TRPV1 (0.47) TRPV1EPHX2ADRA1A
SCHEMBL8536119 0.72 TAAR1 (0.47) TRPV1EPHX2ADRA1A
SCHEMBL5919362 0.70 ADRA1A (0.47) TRPV1ADRA1ANPY5R
SCHEMBL12987670 0.69 TRPV1 (0.40) TRPV1EPHX2ADRA1ANPY5R
SCHEMBL2037302 0.68 EPHX2 (0.43) TRPV1EPHX2
SCHEMBL20983702 0.67 TRPV1 (0.60) TRPV1
SCHEMBL5918292 0.67 TRPV1 (0.46) TRPV1
SCHEMBL8628220 0.66 BTK (0.49) NPY5R
SCHEMBL31555445 0.66 SCN5A (0.49) 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-119350258-A Perilla alcohol-1, 2, 4-triazole thioether derivative, and preparation method and application thereof 南宁师范大学 2025-01-24 CN disclosed