SCHEMBL5722366

SCHEMBL5722366

CN(C)C(=O)CCCOc1ccc2c(c1)C[C@@H](NC[C@@H](O)c1ccc(O)cc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 18/20 0.52
▸ ADRB1 P08588 8/20 0.52
▸ ADRB2 P07550 2/20 0.51

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
SCHEMBL5722359 1.00 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL5722314 0.90 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL13550993 0.90 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL1593170 0.90 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL1593171 0.90 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL3828053 0.90 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL5722261 0.90 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL5722259 0.90 ADRB3 (0.52) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL5722281 0.89 ADRB3 (0.58) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL5722313 0.89 ADRB3 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893432-B1 PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2006-11-08 — — EP disclosed
US-6046192-A Phenylethanolaminotetralincarboxamide derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-04-04 — — US disclosed
EP-0893432-A1 PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES Kissei Pharmaceutical Co. Ltd. (JP) 1999-01-27 — — EP disclosed
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