SCHEMBL4866072

SCHEMBL4866072

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

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.38

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
SCHEMBL4738401 0.88 ADRB2 (0.37) ADRB2
SCHEMBL4740728 0.83 ADRB2 (0.40) ADRB2
SCHEMBL3595006 0.70 ADRB2 (0.62) ADRB2
Hydrochloric Acid SCHEMBL3584773 0.69 ADRB2 (0.61) ADRB2
SCHEMBL4784314 0.69 ADRB2 (0.43) ADRB2
SCHEMBL2814686 0.68 ADRB2 (0.47) ADRB2
SCHEMBL2816287 0.68 ADRB2 (0.52) ADRB2
SCHEMBL2815404 0.68 ADRB2 (0.54) ADRB2
SCHEMBL4744089 0.68 ADRB2 (0.47) ADRB2
SCHEMBL2817307 0.68 ADRB2 (0.56) 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 1 patent. 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