SCHEMBL29487581

SCHEMBL29487581

CC(C)(C)OC(=O)N1CCC(OCc2ncccc2Br)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.52
POLB P06746 1/20 0.47
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
DTYMK P23919 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL23293089 1.00 GPR119 (0.52) GPR119POLBPRMT5WDR77DTYMK
SCHEMBL25471671 0.82 CARM1 (0.53) GPR119PRMT5WDR77KDM4EPKM
SCHEMBL23922873 0.82 GPR119 (0.47) GPR119POLB
SCHEMBL23293120 0.81 GPR119 (0.47) GPR119POLBPRMT5WDR77KDM4E
SCHEMBL2630824 0.81 GPR119 (0.54) GPR119POLB
SCHEMBL30588466 0.81 EPHX2 (0.50) GPR119POLBKDM4EPKMKMT2A
SCHEMBL26116336 0.81 EPHX2 (0.50) GPR119POLBKDM4EPKMKMT2A
SCHEMBL9933273 0.80 POLB (0.53) GPR119POLBDTYMKKDM4EKMT2A
SCHEMBL28674266 0.80 GPR119 (0.45) GPR119POLB
SCHEMBL5079976 0.79 GPR119 (0.50) GPR119PRMT5WDR77

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-114181136-A Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2022-03-15 CN disclosed