SCHEMBL8140446

SCHEMBL8140446

CC(C)(C)OC(=O)N1CCNCC1c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
NR1H2 P55055 5/20 0.43
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
NR1H3 Q13133 4/20 0.39
MAPK1 P28482 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR1 P25103 3/20 0.35
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34

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
SCHEMBL3697218 0.89 DPP4 (0.47) PARP1NR1H2DPP4DPP7NR1H3
SCHEMBL25913721 0.89 DPP4 (0.47) PARP1NR1H2DPP4DPP7NR1H3
SCHEMBL1673503 0.88 MEN1 (0.43) PARP1NR1H2NR1H3ALDH1A1MAPT
SCHEMBL28304239 0.88 NR1H2 (0.50) PARP1NR1H2DPP4DPP7NR1H3
SCHEMBL27909454 0.87 PARP1 (0.42) PARP1NR1H2DPP4DPP7NR1H3
SCHEMBL30385469 0.87 PARP1 (0.42) PARP1NR1H2DPP4DPP7NR1H3
SCHEMBL30741110 0.87 PARP1 (0.44) PARP1NR1H2DPP4DPP7NR1H3
SCHEMBL874416 0.87 NR1H2 (0.49) PARP1NR1H2DPP4DPP7NR1H3
SCHEMBL4325057 0.87 NR1H2 (0.49) PARP1NR1H2DPP4DPP7NR1H3
SCHEMBL22285173 0.87 NR1H2 (0.49) PARP1NR1H2DPP4DPP7NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557933-B Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2024-08-16 CN disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 CN disclosed
CN-106905245-A The dibasic pyrimidines of 2,4- 正大天晴药业集团股份有限公司 2017-06-30 CN disclosed
CN-103534241-A Fak inhibitor CANCER THERAPEUTICS CRC PTY LTD 2014-01-22 CN disclosed
CN-1131222-C Benzamide derivatives and their use as inhibitors of APOB-100 secretion GLAXO GROUP LTD (GB) 2003-12-17 CN disclosed
CN-1334808-A Benzamide derivatives and their use as inhibitors of APOB-100 secretion GLAXO GROUP LTD (GB) 2002-02-06 CN disclosed
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed