SCHEMBL4753827

SCHEMBL4753827

Nc1nc(CNCCc2ccc(O)c3[nH]c(=O)sc23)cs1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.55
ABCB11 O95342 2/20 0.47
ADRB1 P08588 3/20 0.44
DRD2 P14416 3/20 0.44
PDE4A P27815 1/20 0.44
ADRA1D P25100 2/20 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
SCHEMBL4744089 0.79 ADRB2 (0.47) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL4740728 0.78 ADRB2 (0.40) ADRB2ABCB11
SCHEMBL8879323 0.76 ADRB2 (0.61) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL1683034 0.73 ADRB2 (0.59) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL4739347 0.73 ADRB2 (0.39) ADRB2
SCHEMBL14077127 0.73 ADRB2 (0.56) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL14103594 0.71 ADRB2 (0.48) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL4740762 0.71 ADRB2 (0.52) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL4740741 0.71 ADRB2 (0.56) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL4440137 0.71 ADRB2 (0.56) ADRB2ABCB11ADRB1DRD2PDE4A

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-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-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed