SCHEMBL4744131

SCHEMBL4744131

CC(C)(C)OC(=O)N(CCc1ccc(O)c2[nH]c(=O)sc12)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.41
NR1D1 P20393 1/20 0.40

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
SCHEMBL4742599 0.94 ADRB2 (0.43) ADRB2
SCHEMBL4738395 0.88 ADRB2 (0.43) ADRB2
SCHEMBL4742726 0.83 ADRB2 (0.41) ADRB2
SCHEMBL4740708 0.82 ADRB2 (0.41) ADRB2
SCHEMBL4741978 0.82 ADRB2 (0.40) ADRB2
SCHEMBL4742320 0.81 ADRB2 (0.45) ADRB2
SCHEMBL4738383 0.81 ADRB2 (0.45) ADRB2
SCHEMBL4741410 0.81 ADRB2 (0.42) ADRB2
SCHEMBL4738429 0.79 ADRB2 (0.38) ADRB2
SCHEMBL16682344 0.78 KCNH2 (0.53) NR1D1

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 3 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-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