SCHEMBL28085168

SCHEMBL28085168

N#Cc1ccc(CN2CCC(c3ccc(C(N)=O)nc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 20/20 0.55
PRKAB2 O43741 8/20 0.51
PRKAG1 P54619 8/20 0.51
PRKAA1 Q13131 8/20 0.51
PRKAG3 Q9UGI9 8/20 0.51
PRKAG2 Q9UGJ0 8/20 0.51
PRKAB1 Q9Y478 8/20 0.51
CYP3A4 P08684 1/20 0.50

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
SCHEMBL4956150 0.78 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Formamide SCHEMBL15154724 0.76 PRKAA2 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518546 0.76 HRH3 (0.61) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16190086 0.75 PRKAA2 (0.74) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL18296234 0.75 KMT2A (0.60)
SCHEMBL518540 0.74 PRKAA2 (0.81) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7238995 0.74 HRH3 (0.65)
SCHEMBL10284623 0.73 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518389 0.73 PRKAA2 (0.74) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL10625447 0.73 HRH3 (0.64)

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-103201267-B AMPK-activating heterocyclic compounds and methods of use thereof 里格尔药品股份有限公司 2016-08-17 CN disclosed