SCHEMBL3661167

SCHEMBL3661167

O=C(NC1CCN(C(I)c2ccccc2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 11/20 0.44
SCN1A P35498 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
EPHX2 P34913 2/20 0.42
FFAR1 O14842 2/20 0.42
SLC6A5 Q9Y345 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
TEAD1 P28347 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 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
SCHEMBL3664292 0.89 SLC6A5 (0.46) PRKAA2SCN1ASCN5ASCN9AEPHX2
SCHEMBL4427569 0.85 HRH3 (0.51) SCN1ASCN5ASCN9AEPHX2SLC6A5
SCHEMBL2505772 0.85 SLC6A5 (0.60) PRKAA2SLC6A5PRKAB2PRKAG1PRKAA1
SCHEMBL3664140 0.85 HPGDS (0.42) PRKAA2SCN1ASCN5ASCN9AEPHX2
SCHEMBL3663685 0.84 HRH3 (0.52) SCN1ASCN5ASCN9AEPHX2SLC6A5
SCHEMBL4431231 0.84 SCN9A (0.46) SCN1ASCN5ASCN9AEPHX2SLC6A5
SCHEMBL647131 0.83 SLC6A5 (0.51) PRKAA2SCN1ASCN5ASCN9ASLC6A5
SCHEMBL3668147 0.82 PRKAA2 (0.49) PRKAA2SCN9AEPHX2FFAR1LPL
SCHEMBL3663733 0.81 SLC6A4 (0.43) SCN1ASCN5ASCN9AEPHX2FFAR1
SCHEMBL648104 0.80 SLC6A5 (0.53) PRKAA2SLC6A5TEAD1PRKAB2PRKAG1

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