SCHEMBL28487582

SCHEMBL28487582

NC(=O)O[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.49
HTR2C P28335 2/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL23639030 0.83 SCN9A (0.49) SCN9AHTR2CDRD2
SCHEMBL28487568 0.82 HTR2C (0.45) SCN9AHTR2CDRD2
SCHEMBL23638950 0.81 SCN9A (0.48) SCN9AHTR2CDRD2
SCHEMBL28487441 0.81 SCN9A (0.47) SCN9AHTR2C
SCHEMBL23639026 0.80 SCN9A (0.47) SCN9AHTR2CDRD2
SCHEMBL23140869 0.80 HTR2C (0.47) SCN9AHTR2CDRD2
SCHEMBL21306730 0.80 HTR2C (0.47) SCN9AHTR2CDRD2
Hydrochloric Acid SCHEMBL21294890 0.79 HTR2C (0.48) SCN9AHTR2CDRD2
SCHEMBL23140808 0.79 SCN9A (0.46) SCN9AHTR2CDRD2
SCHEMBL28487048 0.79 SCN9A (0.46) SCN9AHTR2CDRD2

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