SCHEMBL28571024

SCHEMBL28571024

CC(C)(C)OC(=O)N1CCN(C(=O)N2CCCC(C(=O)O)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.49
EPHX1 P07099 1/20 0.47
RECQL P46063 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL28914926 1.00 HPGD (0.56) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL28571023 1.00 HPGD (0.56) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL40057 0.90 MEN1 (0.64) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL40056 0.90 MEN1 (0.64) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL181768 0.90 MEN1 (0.64) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL27963722 0.87 HPGD (0.65) HPGDMEN1ALDH1A1MAPTKMT2A
Hydrazine SCHEMBL27951659 0.87 MEN1 (0.61) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL28577368 0.86 HPGD (0.53) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL28574240 0.86 HPGD (0.53) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL28574242 0.86 HPGD (0.53) HPGDMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778299-B Piperazine ureido derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-07-14 CN disclosed
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