SCHEMBL28686162

SCHEMBL28686162

O=C(O)c1cccc(N2CCOC2=O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.46
TSHR P16473 1/20 0.44
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
NOTUM Q6P988 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
SCHEMBL31518544 0.85 L3MBTL1 (0.49) CMA1NOTUM
SCHEMBL27604349 0.74 TNKS (0.40) CMA1NOTUM
SCHEMBL11216231 0.73 CYP3A4 (0.34) CMA1
SCHEMBL2409298 0.72 TSHR (0.52) TSHRNOTUM
SCHEMBL31518571 0.71 SMN1; SMN2 (0.53) TSHR
SCHEMBL4457378 0.71 THRB (0.43)
SCHEMBL1962849 0.71 ALDH1A1 (0.60) CMA1TSHRPRKAG1PRKAA1PRKAB1
SCHEMBL30444472 0.71 ALDH1A1 (0.60) CMA1TSHRPRKAG1PRKAA1PRKAB1
SCHEMBL8147731 0.71 NPC1 (0.36) NOTUM
SCHEMBL14899249 0.70 GAA (0.42) NOTUM

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
CN-114072405-A Heterocyclic monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2022-02-18 CN disclosed