SCHEMBL4753883

SCHEMBL4753883

O=C(O)N(CCc1cccc(OCCCBr)c1)CCc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.50
ADRB1 P08588 2/20 0.50
DRD3 P35462 1/20 0.50
DRD2 P14416 1/20 0.44
ADRA1D P25100 1/20 0.44

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
SCHEMBL4740671 0.89 ADRB2 (0.48) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL4740700 0.78 ADRB2 (0.45) ADRB2ADRB1DRD3
SCHEMBL4739373 0.76 ADRB2 (0.42) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL2818621 0.75 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL1683032 0.74 ADRB2 (0.50) ADRB2ADRB1DRD2
SCHEMBL3583805 0.73 ADRB2 (0.70) ADRB2
SCHEMBL3582127 0.73 ADRB2 (0.82) ADRB2
SCHEMBL3592056 0.73 ADRB2 (0.82) ADRB2
SCHEMBL14166418 0.72 ABCB11 (0.54) ADRB2ADRB1DRD3DRD2
SCHEMBL3582804 0.71 ADRB2 (0.68) 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