SCHEMBL28487441

SCHEMBL28487441

CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.47
HTR2C P28335 2/20 0.43
TACR1 P25103 2/20 0.41

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
SCHEMBL28500202 0.93 SCN9A (0.44) SCN9AHTR2CTACR1
SCHEMBL28495980 0.89 SCN9A (0.47) SCN9ATACR1
SCHEMBL28487568 0.86 HTR2C (0.45) SCN9AHTR2CTACR1
SCHEMBL28491526 0.85 PARP10 (0.43) SCN9A
SCHEMBL28487048 0.84 SCN9A (0.46) SCN9AHTR2CTACR1
SCHEMBL28486910 0.83 HTR2C (0.40) SCN9AHTR2C
SCHEMBL28492456 0.83 SCN9A (0.49) SCN9ATACR1
SCHEMBL20063500 0.81 SCN9A (0.47) SCN9AHTR2C
SCHEMBL28503005 0.81 SCN9A (0.39) SCN9AHTR2CTACR1
SCHEMBL20063931 0.81 HTR2C (0.49) SCN9AHTR2C

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-112041313-A Pyridine-sulfonamide compounds and their use against pain and related conditions 基因泰克公司 2020-12-04 CN disclosed