SCHEMBL3664005

SCHEMBL3664005

N#Cc1ccc(CN2CCC(NC(=O)c3cc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccn3)CC2I)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 15/20 0.45
PRKAB2 O43741 6/20 0.44
PRKAG1 P54619 6/20 0.44
PRKAA1 Q13131 6/20 0.44
PRKAG3 Q9UGI9 6/20 0.44
PRKAG2 Q9UGJ0 6/20 0.44
PRKAB1 Q9Y478 6/20 0.44
CYP3A4 P08684 2/20 0.44
GPR6 P46095 2/20 0.41
RORC P51449 1/20 0.40
EPHX2 P34913 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
SCHEMBL3666697 0.92 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3660163 0.92 F10 (0.39) PRKAA2RORCEPHX2
SCHEMBL3801004 0.90 PRKAA2 (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL648464 0.89 PRKAA2 (0.57) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3665131 0.88 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3662808 0.87 PRKAA2 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3666114 0.86 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3666568 0.85 PRKAA2 (0.40) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3667019 0.84 PRKAA2 (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3665359 0.84 UTS2R (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP claimed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO claimed