SCHEMBL28159178

SCHEMBL28159178

CCOc1ccc(CC2(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)cc3)CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 14/20 0.54
PRKAB2 O43741 9/20 0.54
PRKAG1 P54619 9/20 0.54
PRKAA1 Q13131 9/20 0.54
PRKAG3 Q9UGI9 9/20 0.54
PRKAG2 Q9UGJ0 9/20 0.54
PRKAB1 Q9Y478 9/20 0.54
KCNH2 Q12809 1/20 0.52
CYP3A4 P08684 2/20 0.51
MCHR1 Q99705 1/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL1035332 0.83 PRKAA2 (0.69) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14652452 0.81 PRKAA2 (0.72) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12226763 0.78 PRKAA2 (0.74) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2391086 0.77 PRKAA2 (0.69) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4340352 0.76 PRKAA2 (0.64) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL2391748 0.76 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14649115 0.76 PRKAA2 (0.66) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2508098 0.75 TMEM97 (0.71) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4341273 0.75 PRKAA2 (0.67) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15817333 0.74 PRKAA2 (0.65) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112079769-A Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-12-15 CN disclosed
CN-106928211-B Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-09-08 CN disclosed
CN-106928211-A Benzamide compound for treating dysbolism 里格尔药品股份有限公司 2017-07-07 CN disclosed