SCHEMBL22720333

SCHEMBL22720333

CC1CCCC2CN(C(=O)OC(C)(C)C)CCN12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PREP P48147 2/20 0.43
FPR2 P25090 1/20 0.43
EPHX1 P07099 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL2797599 0.90 HPGD (0.44) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL2799529 0.90 HPGD (0.44) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL2797597 0.90 HPGD (0.44) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL222625 0.89 HPGD (0.50) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL12272010 0.89 HPGD (0.50) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL12186260 0.89 HPGD (0.50) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL221146 0.89 HPGD (0.50) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL220850 0.89 HPGD (0.50) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL220045 0.89 HPGD (0.50) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL223042 0.89 HPGD (0.50) HPGDMEN1KMT2AALDH1A1MAPT

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
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed