SCHEMBL13982170

SCHEMBL13982170

CC(O)c1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.66
ADRB1 P08588 19/20 0.66
DRD3 P35462 4/20 0.54

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
SCHEMBL19043558 1.00 ADRB2 (0.66) ADRB2ADRB1DRD3
SCHEMBL10215353 0.89 ADRB2 (0.63) ADRB2ADRB1DRD3
SCHEMBL14291930 0.84 ADRB2 (0.75) ADRB2ADRB1DRD3
SCHEMBL27830246 0.84 ADRB2 (0.62) ADRB2ADRB1DRD3
SCHEMBL27809795 0.84 ADRB2 (0.62) ADRB2ADRB1DRD3
SCHEMBL4718496 0.81 ADRB2 (0.59) ADRB2ADRB1DRD3
SCHEMBL1803582 0.81 ADRB2 (0.71) ADRB2ADRB1DRD3
SCHEMBL1803584 0.81 ADRB2 (0.71) ADRB2ADRB1DRD3
SCHEMBL3688288 0.81 ADRB2 (0.62) ADRB2ADRB1DRD3
Hydrochloric Acid SCHEMBL1796166 0.80 ADRB2 (0.69) ADRB2ADRB1DRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008149110-A1 BICYCLOR [2.2.1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES AND CONDITIONS IN WHICH M3 MUSCARINIC RECEPTOR ACTIVITY AND BETA-ADRENERGIC ACTIVITY ARE IMPLICATED ARGENTA DISCOVERY LIMITED (GB) 2008-12-11 WO disclosed
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008017824-A1 BICYCLO [2. 2. 1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed
WO-2008017827-A2 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed