SCHEMBL13617672

SCHEMBL13617672

CCCCOc1ccc([C@@H](O)CNCCc2ccc(Nc3ccc(-n4[nH]c(=O)cc4C)cc3)cc2)cc1NC=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.51
▸ ADRB1 P08588 11/20 0.51
▸ ADRB3 P13945 6/20 0.51
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 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
SCHEMBL13617829 0.86 ADRB2 (0.60) ADRB2ADRB1ADRB3
SCHEMBL13617661 0.84 ADRB2 (0.62) ADRB2ADRB1ADRB3
SCHEMBL13617395 0.78 ADRB2 (0.79) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL13618087 0.78 ADRB2 (0.69) ADRB2ADRB1ADRB3
SCHEMBL13892875 0.77 ADRB2 (0.49) ADRB2ADRB1ADRB3
SCHEMBL13617402 0.77 ADRB2 (0.66) ADRB2ADRB1
SCHEMBL13617642 0.77 ADRB2 (0.52) ADRB2ADRB1ADRB3
SCHEMBL13708435 0.76 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL13892852 0.72 MAPK1 (0.46) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL3838751 0.72 ADRB2 (0.79) ADRB2ADRB1ADRB3DRD2

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
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 — — EP disclosed
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