SCHEMBL20764686

SCHEMBL20764686

CC(C)(C)OC(=O)NCC[C@H](O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
RXFP1 Q9HBX9 1/20 0.44
CES2 O00748 1/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
RORC P51449 2/20 0.41
AURKB Q96GD4 1/20 0.41
NQO2 P16083 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TP53BP1 Q12888 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 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
SCHEMBL257275 0.88 PNMT (0.51) PNMTRXFP1CES2ALDH1A1AURKB
SCHEMBL20764643 0.86 RXFP1 (0.43) RXFP1CES2ALDH1A1POLBAURKB
SCHEMBL6237655 0.85 CTSS (0.45) CES2ALDH1A1NQO2CTSSCTSK
SCHEMBL3137524 0.84 NQO2 (0.43) NQO2CTSSCTSK
SCHEMBL16079975 0.84 POLB (0.45) ALDH1A1POLBNQO2NPSR1CTSS
SCHEMBL17735443 0.84 POLB (0.45) ALDH1A1POLBNQO2NPSR1CTSS
SCHEMBL16031480 0.84 NQO2 (0.51) NQO2CTSSCTSK
SCHEMBL2204205 0.84 NQO2 (0.51) NQO2CTSSCTSK
SCHEMBL26577144 0.84 PNMT (0.50) PNMTRXFP1CES2ALDH1A1POLB
SCHEMBL12184924 0.84 PNMT (0.55) PNMTCES2ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672953-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2020-07-01 EP disclosed
WO-2019038315-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2019-02-28 WO disclosed