SCHEMBL3840639

SCHEMBL3840639

O=CNc1cc([C@H](O)CNCCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.74
▸ ADRB1 P08588 10/20 0.74
▸ ADRB3 P13945 4/20 0.74

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
SCHEMBL3840560 1.00 ADRB2 (0.74) ADRB2ADRB1ADRB3
SCHEMBL3840564 1.00 ADRB2 (0.74) ADRB2ADRB1ADRB3
SCHEMBL3843146 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3
SCHEMBL3843666 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3
SCHEMBL3843145 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3
SCHEMBL3196551 0.84 ADRB2 (0.87) ADRB2ADRB1ADRB3
SCHEMBL3838435 0.84 ADRB2 (0.85) ADRB2ADRB1ADRB3
SCHEMBL3838432 0.84 ADRB2 (0.85) ADRB2ADRB1ADRB3
SCHEMBL3838557 0.84 ADRB2 (0.85) ADRB2ADRB1ADRB3
SCHEMBL3842096 0.84 ADRB2 (1.00) ADRB2ADRB1

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 2 patents. 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 claimed
EP-1446379-B1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-29 — — EP claimed
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