SCHEMBL28565710

SCHEMBL28565710

Oc1ccccc1Oc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
MAPT P10636 2/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
TTR P02766 1/20 0.45
PGR P06401 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
HSPA5 P11021 1/20 0.45
HPGD P15428 1/20 0.45
CBR1 P16152 1/20 0.45
TBXA2R P21731 1/20 0.45
AGTR1 P30556 1/20 0.45
AR P10275 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
STK39 Q9UEW8 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL5542862 0.82 PNLIP (0.43) PNLIPSLC6A2SLC6A3ARSCN8A
SCHEMBL12096571 0.80 AR (0.45) SLC6A2SLC6A3MAPTNR1I2LMNA
SCHEMBL9589145 0.80 SLC6A2 (0.51) SLC6A2SLC6A3MAPTARSLC6A4
SCHEMBL9589491 0.79 SLC6A2 (0.54) SLC6A2SLC6A3MAPTARSLC6A4
SCHEMBL7809458 0.79 TTR (0.47) SLC6A2SLC6A3MAPTNR1I2LMNA
SCHEMBL9588248 0.79 AR (0.48) SLC6A2SLC6A3MAPTARSLC6A4
SCHEMBL9588339 0.78 AR (0.50) SLC6A2SLC6A3MAPTTTRAR
SCHEMBL9589204 0.78 SLC6A2 (0.53) SLC6A2SLC6A3MAPTARSLC6A4
SCHEMBL9588170 0.78 AR (0.50) SLC6A2SLC6A3MAPTARSLC6A4
SCHEMBL10825618 0.77 MRGPRX4 (0.48) PNLIPMRGPRX4SCN9A

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-112689633-A For inhibiting Nav1.8 pyridine carboxamide Compounds 利伯研究所公司 2021-04-20 CN disclosed