SCHEMBL28331123

SCHEMBL28331123

CC[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
STS P08842 1/20 0.42
ATM Q13315 1/20 0.41
KDM1A O60341 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
GLS O94925 1/20 0.40
YAP1 P46937 1/20 0.40
TGFBR1 P36897 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL28331122 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL22147785 0.87 GPR119 (0.48) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL15507141 0.84 KDM4E (0.48) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL4164968 0.84 KDM4E (0.48) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL16459750 0.84 KDM4E (0.48) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL4164966 0.84 KDM4E (0.48) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL28342102 0.84 KDM4E (0.48) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL651769 0.84 ATM (0.46) GPR119KDM4EPKMATMKDM1A
SCHEMBL22798953 0.84 ATM (0.46) GPR119KDM4EPKMATMKDM1A
SCHEMBL651751 0.84 ATM (0.46) GPR119KDM4EPKMATMKDM1A

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-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
CN-110563717-A piperidine CXCR7receptor modulators 爱杜西亚药品有限公司 2019-12-13 CN disclosed