SCHEMBL28579258

SCHEMBL28579258

CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(C3(C(=O)O)CC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
GPR119 Q8TDV5 3/20 0.44
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
EPHX2 P34913 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 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
SCHEMBL19410867 0.94 HPGD (0.50) HPGDGPR119RECQLEPHX1EPHX2
SCHEMBL30493418 0.91 HPGD (0.43) HPGDGPR119RECQLEPHX1HRH3
SCHEMBL2926865 0.89 HPGD (0.51) HPGDGPR119RECQLEPHX1EPHX2
SCHEMBL396843 0.83 EPHX1 (0.49) HPGDGPR119RECQLEPHX1EPHX2
SCHEMBL31170608 0.82 HPGD (0.47) HPGDGPR119RECQLEPHX1EPHX2
SCHEMBL4609802 0.82 EPHX1 (0.51) HPGDGPR119RECQLEPHX1EPHX2
SCHEMBL27388627 0.78 USP2 (0.62) HPGDRECQLEPHX1HRH3EPHX2
SCHEMBL28577405 0.77 HPGD (0.54) HPGDGPR119RECQLEPHX1HRH3
SCHEMBL25271054 0.77 HPGD (0.44) HPGDGPR119RECQLEPHX1EPHX2
SCHEMBL31567046 0.77 HPGD (0.41) HPGDGPR119RECQLEPHX1EPHX2

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-112778299-A Piperazine ureido derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-05-11 CN disclosed