SCHEMBL7586549

SCHEMBL7586549

CN(C)C(=O)CCCOc1ccc2c(c1)C[C@@H](NCC(O)c1ccc(O)c(CO)c1)CC2

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 5/20 0.61
▸ ADRB2 P07550 4/20 0.61
▸ ADRB3 P13945 14/20 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
SCHEMBL7586561 1.00 ADRB1 (0.61) ADRB1ADRB2ADRB3
SCHEMBL7585377 0.91 ADRB1 (0.64) ADRB1ADRB2ADRB3
SCHEMBL7584859 0.91 ADRB1 (0.64) ADRB1ADRB2ADRB3
SCHEMBL7584849 0.91 ADRB1 (0.64) ADRB1ADRB2ADRB3
SCHEMBL5722359 0.88 ADRB3 (0.52) ADRB1ADRB2ADRB3
SCHEMBL5722366 0.88 ADRB3 (0.52) ADRB1ADRB2ADRB3
Sulfuric Acid SCHEMBL5449137 0.88 ADRB1 (0.60) ADRB1ADRB2ADRB3
SCHEMBL4184909 0.88 ADRB3 (0.56) ADRB1ADRB2ADRB3
SCHEMBL4184913 0.88 ADRB3 (0.56) ADRB1ADRB2ADRB3
SCHEMBL7546363 0.87 ADRB3 (0.57) ADRB1ADRB2ADRB3

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
EP-0882704-B1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2002-10-09 — — EP disclosed
US-6133266-A 3,4-disubstituted phenylethanolaminotetralincarboxamide derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 — — US disclosed
EP-0882704-A1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 — — EP disclosed
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