SCHEMBL28487568

SCHEMBL28487568

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.45
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TACR1 P25103 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
KDM1A O60341 1/20 0.40
DRD2 P14416 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.38
SCN9A Q15858 3/20 0.38
GUSB P08236 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL28487441 0.86 SCN9A (0.47) HTR2CTACR1SCN9A
SCHEMBL28319367 0.85 HTR2C (0.40) HTR2CMAOAMAOBHTR2AHTR2B
SCHEMBL28487048 0.84 SCN9A (0.46) HTR2CTACR1DRD2TRPM5SCN9A
SCHEMBL28487582 0.82 SCN9A (0.49) HTR2CDRD2SCN9A
SCHEMBL28493110 0.82 HTR2C (0.40) HTR2CTACR1HTR2AHTR2BDRD2
SCHEMBL28500202 0.82 SCN9A (0.44) HTR2CTACR1SCN9A
SCHEMBL21296542 0.81 HTR2C (0.54) HTR2CHTR2AHTR2BDRD2GUSB
SCHEMBL28503005 0.81 SCN9A (0.39) HTR2CTACR1HTR2AHTR2BDRD2
SCHEMBL28494267 0.80 SCN9A (0.37) MAOAMAOBTACR1KDM1ASCN9A
SCHEMBL28495980 0.78 SCN9A (0.47) TACR1SCN9A

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