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SCHEMBL16615388

SCHEMBL16615388

CC[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1NC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cn1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 15/20 0.85
▸ PRKAB2 O43741 8/20 0.60
▸ PRKAG1 P54619 8/20 0.60
▸ PRKAA1 Q13131 8/20 0.60
▸ PRKAG3 Q9UGI9 8/20 0.60
▸ PRKAG2 Q9UGJ0 8/20 0.60
▸ PRKAB1 Q9Y478 8/20 0.60
▸ CYP3A4 P08684 1/20 0.52

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
SCHEMBL518567 0.92 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15170914 0.92 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518565 0.92 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518566 0.92 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL19917570 0.88 PRKAA2 (0.81) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16615392 0.88 PRKAA2 (0.83) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16366747 0.87 PRKAA2 (0.91) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518505 0.84 PRKAA2 (0.85) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15170940 0.84 PRKAA2 (0.85) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518504 0.84 PRKAA2 (0.85) 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
WO-2015048547-A2 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-04-02 — — WO disclosed