SCHEMBL16927795

SCHEMBL16927795

N#Cc1ccc(N2CCC(Oc3ccc(C(=O)NC4CCN(Cc5ccc(C(=O)O)cc5)CC4)nc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 20/20 0.72
PRKAB2 O43741 12/20 0.72
PRKAG1 P54619 12/20 0.72
PRKAA1 Q13131 12/20 0.72
PRKAG3 Q9UGI9 12/20 0.72
PRKAG2 Q9UGJ0 12/20 0.72
PRKAB1 Q9Y478 12/20 0.72
CYP3A4 P08684 2/20 0.72

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
SCHEMBL647386 0.95 PRKAA2 (0.75) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL649456 0.92 PRKAA2 (0.70) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16927794 0.91 PRKAA2 (0.64) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL647029 0.91 PRKAA2 (0.69) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL519008 0.90 PRKAA2 (0.83) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10112714 0.89 PRKAA2 (0.67) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL649210 0.89 PRKAA2 (0.67) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL648252 0.88 PRKAA2 (0.65) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16927799 0.88 SLC6A5 (0.57) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518575 0.86 PRKAA2 (0.88) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231600-B1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP claimed