SCHEMBL3666697

SCHEMBL3666697

O=C(NC1CCN(Cc2ccc(F)cc2)C(I)C1)c1cc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 11/20 0.43
MDM2 Q00987 2/20 0.39
F10 P00742 1/20 0.39
SLC6A5 Q9Y345 2/20 0.38
GPR6 P46095 1/20 0.37
FFAR1 O14842 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
EPHX2 P34913 1/20 0.37
DRD4 P21917 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL3660163 0.94 F10 (0.39) PRKAA2MDM2F10SLC6A5RAF1
SCHEMBL3664005 0.92 PRKAA2 (0.45) PRKAA2GPR6EPHX2PRKAB2PRKAG1
SCHEMBL650631 0.88 PRKAA2 (0.51) PRKAA2SLC6A5DRD4PRKAB2PRKAG1
SCHEMBL3668637 0.87 PRKAA2 (0.43) PRKAA2F10SLC6A5DRD4PRKAB2
SCHEMBL3665362 0.84 PRKAA2 (0.40) PRKAA2SLC6A5FFAR1EPHX2DRD4
SCHEMBL4441003 0.83 DRD4 (0.43) F10SLC6A5DRD4
SCHEMBL648255 0.82 SLC6A5 (0.49) PRKAA2SLC6A5DRD4
SCHEMBL3798034 0.82 SLC6A5 (0.50) PRKAA2SLC6A5FFAR1PRKAB2PRKAG1
SCHEMBL3801004 0.82 PRKAA2 (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3664555 0.81 MEN1 (0.40) MDM2F10SLC6A5DRD4

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