SCHEMBL3661407

SCHEMBL3661407

O=C(NC1CCN(Cc2ccncc2)C(I)C1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 5/20 0.42
PRKAA2 P54646 7/20 0.41
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
HPGDS O60760 1/20 0.39
PAK1 Q13153 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
RORC P51449 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
MDM2 Q00987 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3667019 0.91 PRKAA2 (0.49) SLC6A5PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL3664555 0.90 MEN1 (0.40) SLC6A5DRD4DRD2RORCHIF1A
SCHEMBL651761 0.88 SLC6A5 (0.55) SLC6A5PRKAA2DRD4DRD2HPGDS
SCHEMBL3666588 0.87 SSTR5 (0.42) SLC6A5PRKAA2DRD4DRD2RORC
SCHEMBL3662737 0.85 MDM2 (0.41) SLC6A5PRKAA2DRD4DRD2MDM2
SCHEMBL4441003 0.85 DRD4 (0.43) SLC6A5DRD4DRD2KMT2A
SCHEMBL3664571 0.84 USP30 (0.39)
SCHEMBL3668637 0.84 PRKAA2 (0.43) SLC6A5PRKAA2DRD4DRD2PRKAB2
SCHEMBL3660163 0.84 F10 (0.39) SLC6A5PRKAA2DRD4RORCMDM2
SCHEMBL3665131 0.82 PRKAA2 (0.43) SLC6A5PRKAA2DRD4PRKAB2PRKAG1

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