SCHEMBL28053573

SCHEMBL28053573

CC1CC(CO)CN1CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
GAA P10253 3/20 0.51
MAPT P10636 1/20 0.47
GBA1 P04062 3/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
ACHE P22303 1/20 0.43
OGA O60502 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL3597729 0.84 MAPT (0.65) SIGMAR1MAPTGBA1
SCHEMBL3597725 0.84 MAPT (0.65) SIGMAR1MAPTGBA1
SCHEMBL3601179 0.84 MAPT (0.65) SIGMAR1MAPTGBA1
SCHEMBL17048017 0.84 MAPT (0.65) SIGMAR1MAPTGBA1
SCHEMBL2271581 0.84 MAPT (0.65) SIGMAR1MAPTGBA1
SCHEMBL3601182 0.84 MAPT (0.65) SIGMAR1MAPTGBA1
SCHEMBL4513431 0.76 GBA1 (0.52) SIGMAR1MAPTGBA1ACHEHRH3
SCHEMBL18857789 0.76 SIGMAR1 (0.54) SIGMAR1GAAMAPTOPRM1OPRD1
SCHEMBL22668719 0.76 GBA1 (0.52) SIGMAR1MAPTGBA1ACHEHRH3
SCHEMBL14660575 0.76 GBA1 (0.52) SIGMAR1MAPTGBA1ACHEHRH3

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
CN-105246888-A Imidazopyridine compounds and uses thereof TECHNOLOGY SG L P 2016-01-13 CN disclosed