SCHEMBL461048

SCHEMBL461048

CC(C)c1noc(C(=O)N2CCC(CO)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.41
GPR119 Q8TDV5 1/20 0.41
CHRM4 P08173 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
AKR1C3 P42330 1/20 0.39
EPHX2 P34913 1/20 0.37
HTR2A P28223 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL462923 0.82 GPR119 (0.40) GPR119CHRM4EPHX2SMN1; SMN2
SCHEMBL13588568 0.82 HTR2C (0.38) HTR2CHRH3AKR1C3HTR2ASMN1; SMN2
SCHEMBL14261373 0.78 HTR2C (0.38) HTR2CCHRM4HRH3AKR1C3HTR2A
SCHEMBL387876 0.75 GPR119 (0.71) GPR119
SCHEMBL13548532 0.73 EPHX2 (0.38) GPR119CHRM4EPHX2
SCHEMBL470574 0.72 GPR119 (0.45) GPR119
SCHEMBL13548503 0.70 SCD5 (0.36) GPR119CHRM4EPHX2HTR2ADPP4
SCHEMBL38663614 0.70 ALDH1A1 (0.52) CHRM4SMN1; SMN2
SCHEMBL26529969 0.70 CHRM2 (0.52) GPR119SMN1; SMN2
SCHEMBL23260550 0.69 CHRM2 (0.47) SMN1; SMN2

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed