SCHEMBL28645499

SCHEMBL28645499

CC(C)(C)OC(=O)N1CCC(CCC(N)CO)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
HPGD P15428 1/20 0.46
DPP4 P27487 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
GPR119 Q8TDV5 7/20 0.45
FAAH O00519 1/20 0.44
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL23850138 1.00 NR1H2 (0.47) NR1H2HPGDDPP4KDM4EPKM
SCHEMBL28647908 0.90 DPP4 (0.49) NR1H2HPGDDPP4KDM4EPKM
SCHEMBL28643401 0.90 DPP4 (0.49) NR1H2HPGDDPP4KDM4EPKM
SCHEMBL23850137 0.86 NR1H2 (0.51) NR1H2HPGDDPP4KDM4EPKM
SCHEMBL2549045 0.86 HPGD (0.48) NR1H2HPGDDPP4KDM4EPKM
SCHEMBL18497484 0.86 NR1H2 (0.49) NR1H2HPGDKDM4EPKMGPR119
SCHEMBL5574074 0.85 HPGD (0.50) NR1H2HPGDDPP4KDM4EPKM
SCHEMBL20061028 0.84 KDM4E (0.49) NR1H2HPGDKDM4EPKMGPR119
SCHEMBL22284308 0.83 NR1H2 (0.47) NR1H2HPGDDPP4KDM4EPKM
SCHEMBL13715268 0.83 HPGD (0.46) NR1H2HPGDDPP4KDM4EPKM

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-113573779-A C10-alkylene substituted 13-membered macrolides and their use 齐卡尼治疗股份有限公司 2021-10-29 CN disclosed