SCHEMBL28587906

SCHEMBL28587906

CC1(CC(=O)O)CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL2320202 0.94 USP2 (0.47) USP2SMN1; SMN2EPHX2ALDH1A1LMNA
SCHEMBL22323275 0.85 USP2 (0.41) USP2SMN1; SMN2EPHX2HPGDALOX15
SCHEMBL6749647 0.83 USP2 (0.43) USP2SMN1; SMN2HPGDALOX15TSHR
SCHEMBL4980253 0.83 USP2 (0.38) USP2SMN1; SMN2EPHX2HPGDALOX15
SCHEMBL24442411 0.81 USP2 (0.46) USP2SMN1; SMN2EPHX2ALDH1A1LMNA
SCHEMBL27388627 0.79 USP2 (0.62) USP2SMN1; SMN2EPHX2ALDH1A1LMNA
SCHEMBL1086226 0.79 USP2 (0.47) USP2SMN1; SMN2EPHX2HPGDALOX15
SCHEMBL31191651 0.79 USP2 (0.42) USP2SMN1; SMN2EPHX2ALDH1A1LMNA
SCHEMBL1709866 0.79 USP2 (0.50) USP2SMN1; SMN2EPHX2ALDH1A1LMNA
SCHEMBL6914295 0.79 USP2 (0.50) USP2SMN1; SMN2EPHX2ALDH1A1LMNA

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