SCHEMBL22668707

SCHEMBL22668707

CC1CC(O)CCN1CCc1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.41
KCNH2 Q12809 3/20 0.41
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
SPHK1 Q9NYA1 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
SCHEMBL22668864 0.92 SIGMAR1 (0.40) HRH3KCNH2OPRM1OPRD1OPRK1
SCHEMBL23996602 0.83 SPHK1 (0.51) SPHK1
SCHEMBL14660575 0.80 GBA1 (0.52) HRH3
SCHEMBL4513431 0.80 GBA1 (0.52) HRH3
SCHEMBL22668719 0.80 GBA1 (0.52) HRH3
SCHEMBL22668731 0.76 HRH3 (0.53) HRH3KCNH2
SCHEMBL22668915 0.76 HRH3 (0.67) HRH3KCNH2OPRM1OPRD1OPRK1
SCHEMBL8661099 0.75 HRH3 (0.46) HRH3KCNH2
SCHEMBL22669020 0.75 HRH3 (0.43) HRH3KCNH2
SCHEMBL22669022 0.73 HRH3 (0.52) HRH3KCNH2

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-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 WO disclosed