SCHEMBL3668637

SCHEMBL3668637

O=C(NC1CCN(Cc2ccc(F)cc2)C(I)C1)c1ccnc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 6/20 0.43
DRD4 P21917 2/20 0.41
SLC6A5 Q9Y345 6/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR2 P41597 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
F10 P00742 2/20 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
SCHEMBL3664555 0.94 MEN1 (0.40) DRD4SLC6A5MEN1KMT2ADRD2
SCHEMBL3665131 0.92 PRKAA2 (0.43) PRKAA2DRD4SLC6A5CCR2F10
SCHEMBL647932 0.88 DRD4 (0.53) PRKAA2DRD4SLC6A5PRKAB2PRKAG1
SCHEMBL3666697 0.87 PRKAA2 (0.43) PRKAA2DRD4SLC6A5F10PRKAB2
SCHEMBL16938849 0.84 PRKAA2 (0.52) PRKAA2DRD4SLC6A5PRKAB2PRKAG1
SCHEMBL3661407 0.84 SLC6A5 (0.42) PRKAA2DRD4SLC6A5KMT2ADRD2
SCHEMBL4441003 0.83 DRD4 (0.43) DRD4SLC6A5KMT2ADRD2HTR2A
SCHEMBL647123 0.82 DRD4 (0.53) PRKAA2DRD4SLC6A5DRD2HTR2A
SCHEMBL3660163 0.81 F10 (0.39) PRKAA2DRD4SLC6A5F10
SCHEMBL3666588 0.81 SSTR5 (0.42) PRKAA2DRD4SLC6A5DRD2F10

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