SCHEMBL28534291

SCHEMBL28534291

C=C(C)[C@H]1CC[C@@H](c2cccc(C)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.44
MAOB P27338 5/20 0.39
MAOA P21397 2/20 0.39
AOC1 P19801 2/20 0.38
GRM5 P41594 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
ABCB1 P08183 1/20 0.36

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
SCHEMBL21094108 0.91 GPR119 (0.46) GPR119MAOBMAOAAOC1GRM5
SCHEMBL8870879 0.88 GPR119 (0.46) GPR119MAOBGRM5NPSR1MAPT
SCHEMBL8870873 0.88 GPR119 (0.46) GPR119MAOBGRM5NPSR1MAPT
SCHEMBL28520946 0.88 FFAR2 (0.45) MAOBMAOAGRM5MAPTABCB1
SCHEMBL28523802 0.88 RIPK1 (0.48) GPR119MAOBMAOAGRM5
SCHEMBL28534271 0.87 ABCB1 (0.44) GPR119ABCB1
SCHEMBL20835473 0.84 GPR119 (0.43) GPR119GRM5NPSR1MAPTABCB1
SCHEMBL20835862 0.83 MAOB (0.41) MAOBMAOAAOC1
SCHEMBL21094084 0.83 FFAR2 (0.42) GPR119ABCB1
SCHEMBL28528400 0.83 GPR119 (0.41) GPR119MAOBMAOAGRM5NPSR1

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-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed