SCHEMBL26257358

SCHEMBL26257358

CC(C)(C)OC(=O)N[C@@](C)(CO)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
CYP2B6 P20813 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SLC6A2 P23975 2/20 0.38
CYP2C19 P33261 2/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
ITGA5 P08648 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRNA3 P32297 1/20 0.38
HRH1 P35367 1/20 0.38
CHRNA7 P36544 1/20 0.38
OPRK1 P41145 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL29949477 1.00 CTSL (0.42) CTSLCYP2B6KDM4ESLC6A2CYP2C19
SCHEMBL25399092 1.00 CTSL (0.42) CTSLCYP2B6KDM4ESLC6A2CYP2C19
SCHEMBL29949243 0.87 CTSL (0.41) CTSLKDM4ESLC6A2CYP2C19CHRNA1
SCHEMBL24944766 0.85 CTSL (0.42) CTSLCYP2B6KDM4ECYP2C19MAPT
SCHEMBL19731493 0.85 CTSL (0.42) CTSLCYP2B6KDM4ECYP2C19MAPT
SCHEMBL4595970 0.84 CTSL (0.41) CTSLCYP2B6KDM4ECYP2C19MAPT
SCHEMBL244890 0.84 AAK1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15124774 0.84 AAK1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19265256 0.84 RXFP1 (0.48) KDM4ECYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL10216897 0.84 RXFP1 (0.48) KDM4ECYP2C19MAPTSMN1; SMN2ALDH1A1

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
EP-4245753-A1 IMIDAZOLE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2023-09-20 EP disclosed