SCHEMBL3668147

SCHEMBL3668147

O=C(NC1CCN(C(=O)O)C1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 12/20 0.49
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
EPHX2 P34913 1/20 0.44
PRKAB2 O43741 3/20 0.42
PRKAG1 P54619 3/20 0.42
PRKAA1 Q13131 3/20 0.42
PRKAG3 Q9UGI9 3/20 0.42
PRKAG2 Q9UGJ0 3/20 0.42
PRKAB1 Q9Y478 3/20 0.42
CYP3A4 P08684 1/20 0.42
SCN9A Q15858 2/20 0.41
FFAR1 O14842 2/20 0.41
TEAD1 P28347 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL648781 0.89 USP30 (0.55) PRKAA2LPLLIPGEPHX2SCN9A
SCHEMBL650788 0.89 USP30 (0.55) PRKAA2LPLLIPGEPHX2SCN9A
SCHEMBL648780 0.89 USP30 (0.55) PRKAA2LPLLIPGEPHX2SCN9A
SCHEMBL649758 0.84 PRKAA2 (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL649757 0.84 PRKAA2 (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL650342 0.84 PRKAA2 (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2505772 0.84 SLC6A5 (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL647024 0.84 PRKAA2 (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL647025 0.84 PRKAA2 (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL647268 0.84 PRKAA2 (0.53) 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