SCHEMBL3262079

SCHEMBL3262079

Cn1cc(O)nc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
THRB P10828 2/20 0.49
MAPT P10636 1/20 0.49
GPR119 Q8TDV5 8/20 0.46
HPGDS O60760 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
NAMPT P43490 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL16716879 0.86 THRB (0.48) KDM4ETHRBMAPTGPR119HPGDS
SCHEMBL3258236 0.85 KDM4E (0.47) KDM4ETHRBMAPTGPR119HPGDS
SCHEMBL16992147 0.84 KDM4E (0.46) KDM4ETHRBMAPTGPR119HPGDS
SCHEMBL22712403 0.78 THRB (0.50) KDM4ETHRBMAPTGPR119HPGDS
SCHEMBL948563 0.78 GPR119 (0.53) KDM4ETHRBMAPTGPR119HPGDS
SCHEMBL15732488 0.78 P2RY14 (0.51) KDM4EMAPTGPR119HPGDHTT
SCHEMBL18865690 0.77 KDM4E (0.49) KDM4ETHRBMAPTGPR119PTPN2
SCHEMBL17712708 0.75 THRB (0.47) KDM4ETHRBMAPTGPR119HPGDS
SCHEMBL948140 0.75 MAPT (0.50) KDM4ETHRBMAPTGPR119HPGDS
SCHEMBL28923515 0.75 KDM4E (0.53) KDM4ETHRBMAPTGPR119PTPN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109851610-B Bicyclic aza compounds as muscarinic M1 and/or M4 receptor agonists 赫普泰雅治疗有限公司 2021-09-21 CN disclosed
EP-2150269-A1 NEW CYCLIC PEPTIDE COMPOUNDS Astellas Pharma Inc. (JP) 2010-02-10 EP disclosed
WO-2008139986-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC., (JP) 2008-11-20 WO disclosed