SCHEMBL20764643

SCHEMBL20764643

CN[C@@H](CCNC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
AURKB Q96GD4 1/20 0.40
FAAH O00519 1/20 0.39
NQO2 P16083 1/20 0.39
TP53BP1 Q12888 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CES2 O00748 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 2/20 0.39
HTRA1 Q92743 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20764686 0.86 PNMT (0.49) RXFP1ALDH1A1POLBAURKBNQO2
SCHEMBL20792613 0.85 PPARG (0.47) RXFP1FAAHCTSSCTSKNPSR1
SCHEMBL20792639 0.85 SLC6A2 (0.48) RXFP1SLC6A2SLC6A4ALDH1A1POLB
SCHEMBL20792282 0.84 FAAH (0.42) RXFP1ALDH1A1POLBFAAHCTSS
SCHEMBL27791751 0.83 IDO1 (0.50) ALDH1A1CTSSCTSKNPSR1MEN1
SCHEMBL20743103 0.81 RXFP1 (0.41) RXFP1SLC6A2SLC6A4AURKBNQO2
SCHEMBL20764632 0.81 RXFP1 (0.40) RXFP1ALDH1A1POLBAURKBNQO2
SCHEMBL10217145 0.80 FAAH (0.46) RXFP1ALDH1A1POLBFAAHCTSS
SCHEMBL28429974 0.80 FAAH (0.42) RXFP1ALDH1A1POLBFAAHCTSS
SCHEMBL22321391 0.80 KCNQ3 (0.50) RXFP1ALDH1A1POLBFAAHCTSS

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