SCHEMBL16097451

SCHEMBL16097451

CC(C)(C)OC(=O)C1CNCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
PARP1 P09874 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6595132 0.88 PARP1 (0.31) MAPK1PARP1
SCHEMBL6634675 0.83 MAPK1 (0.38) MAPK1GAAALDH1A1NFKB1NFKB2
SCHEMBL28345166 0.81 CHRNB2 (0.39) MAPK1KMT2A
SCHEMBL567797 0.81 CHRNB2 (0.39) MAPK1KMT2A
Hydrochloric Acid SCHEMBL653032 0.79 CHRNB2 (0.38) KMT2A
Hydrochloric Acid SCHEMBL22999868 0.78 CHRNB2 (0.37) KMT2A
SCHEMBL28780551 0.77
SCHEMBL415009 0.77 MAPT (0.43) GAAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL443973 0.75 MAPT (0.44) GAAALDH1A1KMT2A
SCHEMBL4662681 0.75 HTR2C (0.50) MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976337-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS Suven Life Sciences Limited (IN) 2016-01-27 EP disclosed
CN-105001225-A Heterocyclic modulators of lipid synthesis 3 V BIOSCIENCES INC 2015-10-28 CN disclosed
CN-103561576-B Heterocyclic modulators of lipid synthesis 3 V BIOSCIENCES INC 2015-07-22 CN disclosed
CN-103079566-B Heterocyclyl compounds as histamine H3 receptor ligands SUVEN LIFE SCIENCES LTD 2015-06-17 CN disclosed
WO-2014147636-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2014-09-25 WO disclosed