SCHEMBL4184913

SCHEMBL4184913

CCOC(=O)CCCCOc1ccc2c(c1)C[C@@H](NC[C@@H](O)c1ccc(O)c(CO)c1)CC2

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 9/20 0.56
▸ ADRB1 P08588 4/20 0.52
▸ ADRB2 P07550 3/20 0.52

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
SCHEMBL4184909 1.00 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL7544857 0.91 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL7544850 0.91 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL7546363 0.89 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL7543034 0.88 ADRB2 (0.54) ADRB3ADRB1ADRB2
SCHEMBL7543045 0.88 ADRB2 (0.54) ADRB3ADRB1ADRB2
SCHEMBL7549102 0.88 ADRB2 (0.54) ADRB3ADRB1ADRB2
SCHEMBL7549100 0.88 ADRB2 (0.54) ADRB3ADRB1ADRB2
SCHEMBL7586561 0.88 ADRB1 (0.61) ADRB3ADRB1ADRB2
SCHEMBL7586549 0.88 ADRB1 (0.61) ADRB3ADRB1ADRB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332915-B1 Beta2-adrenoceptor agonists NOVARTIS AG (CH) 2013-02-27 — — EP disclosed
EP-1183240-B1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2009-08-19 — — EP disclosed
EP-0894787-B1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXYLATE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2002-06-12 — — EP disclosed
US-6136852-A 3,4-disubstituted phenylethanolaminotetralincarboxylic acid derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 — — US disclosed
EP-0894787-A1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXYLATE DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1999-02-03 — — EP disclosed
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