SCHEMBL3409533

SCHEMBL3409533

O=C(O)NC1CCCOC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CXCR2 P25025 1/20 0.37
EPHX1 P07099 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
EPHX2 P34913 1/20 0.37
SCN9A Q15858 1/20 0.34
PTGES O14684 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 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
SCHEMBL25979887 1.00 NAMPT (0.40) NAMPTCNR2ALDH1A1CXCR2EPHX1
SCHEMBL15614617 0.87
SCHEMBL4321186 0.87
SCHEMBL185632 0.87
Hydrochloric Acid SCHEMBL4325316 0.85 RAB9A (0.40) NAMPTNPC1RAB9ASCN9APTGES
SCHEMBL22341289 0.83 EPHX1 (0.41) ALDH1A1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL23130860 0.82 NAMPT (0.39) NAMPTCNR2ALDH1A1CXCR2EPHX1
SCHEMBL15461394 0.82 ALDH1A1 (0.43) NAMPTCNR2ALDH1A1CXCR2EPHX1
SCHEMBL15932493 0.82 ALDH1A1 (0.43) NAMPTCNR2ALDH1A1CXCR2EPHX1
SCHEMBL618237 0.82 NAMPT (0.34) NAMPTCNR2ALDH1A1CXCR2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116997547-A Granulin precursor modulators and methods of use thereof 阿库达医疗公司 2023-11-03 CN disclosed
WO-2023069708-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
WO-2022065831-A1 USE OF TRIAZOLE COMPOUND AS GHRELIN RECEPTOR AGONIST 경북대학교 산학협력단 2022-03-31 WO disclosed
CN-107250135-B Long-acting dipeptidyl peptidase-IV inhibitor, application and preparation method of intermediate thereof 四川科伦博泰生物医药股份有限公司 2020-05-26 CN disclosed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
WO-2010056708-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2010-05-20 WO disclosed
EP-2001883-A2 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2008-12-17 EP disclosed
WO-2007126745-A2 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-11-08 WO disclosed