SCHEMBL3662808

SCHEMBL3662808

N#Cc1ccc(CN2CCC(NC(=O)c3cncc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)c3)CC2I)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 13/20 0.46
PRKAB2 O43741 5/20 0.45
PRKAG1 P54619 5/20 0.45
PRKAA1 Q13131 5/20 0.45
PRKAG3 Q9UGI9 5/20 0.45
PRKAG2 Q9UGJ0 5/20 0.45
PRKAB1 Q9Y478 5/20 0.45
CYP3A4 P08684 1/20 0.45
RORC P51449 3/20 0.42
SSTR5 P35346 1/20 0.41
AR P10275 1/20 0.40
SLC6A5 Q9Y345 2/20 0.40

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
SCHEMBL3666588 0.92 SSTR5 (0.42) PRKAA2RORCSSTR5ARSLC6A5
SCHEMBL3666114 0.89 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL649863 0.89 PRKAA2 (0.57) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3801004 0.88 PRKAA2 (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3665414 0.88 SLC6A5 (0.50) SSTR5SLC6A5
SCHEMBL3667019 0.88 PRKAA2 (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3665131 0.87 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3664005 0.87 PRKAA2 (0.45) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3666568 0.85 PRKAA2 (0.40) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4441003 0.84 DRD4 (0.43) ARSLC6A5

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