SCHEMBL9370592

SCHEMBL9370592

COC(=O)C1CN2CC(c3nc(C)no3)C1C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
DGAT2 Q96PD7 3/20 0.35
MGAT2 Q10469 1/20 0.35
EPHX2 P34913 1/20 0.34
HSD11B1 P28845 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL17558298 0.79 DGAT2 (0.45) CHRM2DGAT2MGAT2EPHX2CPT2
SCHEMBL9369050 0.76 CHRM2 (0.54) CHRM2
SCHEMBL2593261 0.76 CPT2 (0.48) CHRM2DGAT2MGAT2EPHX2CPT2
SCHEMBL9369870 0.75 CHRM2 (0.55) CHRM2
SCHEMBL9369613 0.75 CHRM2 (0.49) CHRM2
SCHEMBL9368588 0.74 CHRM2 (0.59) CHRM2EPHX2
SCHEMBL9376174 0.74 CHRM2 (0.43) CHRM2EPHX2HSD11B1
SCHEMBL9372338 0.74 CHRM2 (0.54) CHRM2
Hydrochloric Acid SCHEMBL9372376 0.74 CHRM2 (0.54) CHRM2
Hydrochloric Acid SCHEMBL9369958 0.73 CHRM2 (0.58) CHRM2EPHX2

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-0307140-B1 Oxadiazolyl-azabicycloheptanes for the treatment of senile dementia MERCK SHARP & DOHME (GB) 1994-03-02 EP disclosed