SCHEMBL4740728

SCHEMBL4740728

Nc1nc(CN(CCc2ccc(O)c3[nH]c(=O)sc23)C(=O)O)cs1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.40
ABCB11 O95342 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
SCHEMBL4739347 0.87 ADRB2 (0.39) ADRB2
SCHEMBL4866072 0.83 ADRB2 (0.38) ADRB2
SCHEMBL2818621 0.79 ADRB2 (0.49) ADRB2
SCHEMBL4753827 0.78 ADRB2 (0.55) ADRB2ABCB11
SCHEMBL2814686 0.73 ADRB2 (0.47) ADRB2
SCHEMBL2815878 0.73 ADRB2 (0.50) ADRB2
SCHEMBL1683032 0.72 ADRB2 (0.50) ADRB2ABCB11
SCHEMBL4738401 0.72 ADRB2 (0.37) ADRB2
SCHEMBL2815404 0.71 ADRB2 (0.54) ADRB2
SCHEMBL3595006 0.71 ADRB2 (0.62) ADRB2

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
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