SCHEMBL24616940

SCHEMBL24616940

C[C@H](c1cccc(Cl)c1)N(C)C=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 7/20 0.44
AOC3 Q16853 1/20 0.42
POLB P06746 1/20 0.41
ACP3 P15309 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
GBA1 P04062 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 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
SCHEMBL21128963 0.80 ACHE (0.47) TRPM8AOC3ACP3SLC6A2SLC6A4
SCHEMBL4310309 0.77 ALDH1A1 (0.47) TRPM8AOC3ALDH1A1MAPT
SCHEMBL31061559 0.77 ALDH1A1 (0.47) TRPM8AOC3ALDH1A1MAPT
SCHEMBL9626322 0.75 ALOX5 (0.55)
SCHEMBL7510418 0.74 ACP3 (0.43) TRPM8AOC3POLBACP3ALDH1A1
SCHEMBL5539727 0.74 AOC3 (0.43) AOC3POLBACP3SLC6A4HPGD
Dimethylformamide SCHEMBL28224251 0.73 POLB (0.55) AOC3POLBALDH1A1GAAMAPT
SCHEMBL1047528 0.71 ACP3 (0.47) TRPM8AOC3ACP3ALDH1A1HPGD
SCHEMBL254476 0.71 PGR (0.47) AOC3ACP3SLC6A2SLC6A4ALDH1A1
SCHEMBL2601111 0.71 PNMT (0.47) AOC3ACP3SLC6A2SLC6A4ALDH1A1

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
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO disclosed