SCHEMBL28537682

SCHEMBL28537682

CC1CN(OS(=O)(=O)c2ccc(OC3CC3)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.45
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
ACACB O00763 5/20 0.35
RORC P51449 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACA Q13085 2/20 0.34
CHRM4 P08173 4/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL28422650 0.80 MEN1 (0.36) GPR119SMN1; SMN2
SCHEMBL31038329 0.74 GPR119 (0.46) GPR119CYP4F2CYP4A11ACACBRORC
SCHEMBL25243983 0.74 GPR119 (0.46) GPR119CYP4F2CYP4A11ACACBRORC
SCHEMBL25365054 0.74 GPR119 (0.46) GPR119CYP4F2CYP4A11ACACBRORC
SCHEMBL31554865 0.74 GPR119 (0.46) GPR119CYP4F2CYP4A11ACACBRORC
SCHEMBL28430025 0.69 ALDH1A1 (0.32)
SCHEMBL29227973 0.69 GPR119 (0.39) GPR119CYP4F2CYP4A11ACACBRORC
SCHEMBL28892258 0.68 GRM4 (0.38) GPR119MAPTSMN1; SMN2
SCHEMBL15772111 0.68 GPR119 (0.54) GPR119CYP4F2CYP4A11RORCMAPT
SCHEMBL15772581 0.68 GPR119 (0.52) GPR119CYP4F2CYP4A11RORCMAPT

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-112409333-A Phenylpyrrolidines 湖北生物医药产业技术研究院有限公司 2021-02-26 CN disclosed