SCHEMBL22720299

SCHEMBL22720299

CC1CCCN1C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.43
NR1H2 P55055 1/20 0.43
PREP P48147 2/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FPR2 P25090 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
SCHEMBL220045 0.91 HPGD (0.50) HRH3HPGDMEN1ALDH1A1MAPT
SCHEMBL12186260 0.91 HPGD (0.50) HRH3HPGDMEN1ALDH1A1MAPT
SCHEMBL223042 0.91 HPGD (0.50) HRH3HPGDMEN1ALDH1A1MAPT
SCHEMBL220850 0.91 HPGD (0.50) HRH3HPGDMEN1ALDH1A1MAPT
SCHEMBL221146 0.91 HPGD (0.50) HRH3HPGDMEN1ALDH1A1MAPT
SCHEMBL222625 0.91 HPGD (0.50) HRH3HPGDMEN1ALDH1A1MAPT
SCHEMBL12272010 0.91 HPGD (0.50) HRH3HPGDMEN1ALDH1A1MAPT
SCHEMBL2475421 0.88 HPGD (0.52) HRH3HPGDMAPTEPHX1USP2
SCHEMBL2475425 0.88 HPGD (0.52) HRH3HPGDMAPTEPHX1USP2
SCHEMBL2477634 0.87 HPGD (0.52) HRH3HPGDMEN1ALDH1A1MAPT

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