SCHEMBL3669247

SCHEMBL3669247

O=C(NC1CCN(C(=O)O)CC1)c1cnc2ccc(O)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 17/20 0.53
CXCR4 P61073 1/20 0.48
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
TNKS O95271 1/20 0.42

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
SCHEMBL5047611 0.84 HPGDS (0.61) HPGDS
SCHEMBL61133 0.84 HDAC4 (0.53) HPGDS
SCHEMBL14784227 0.81 MET (0.41)
SCHEMBL14784244 0.77 MET (0.43)
SCHEMBL18987769 0.75 HPGDS (0.50) HPGDS
SCHEMBL30578690 0.75 HPGDS (0.48) HPGDSCXCR4DPP4DPP7
SCHEMBL29082338 0.75 HPGDS (0.48) HPGDSCXCR4DPP4DPP7
SCHEMBL14784654 0.74 ME3 (0.44)
SCHEMBL16194601 0.74 PRKAA2 (0.48) HPGDS
SCHEMBL19021457 0.74 HPGDS (0.55) HPGDS

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-2231666-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
WO-2009076631-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed