SCHEMBL9544401

SCHEMBL9544401

Oc1ccc(CCNCC(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.69
ADRB1 P08588 13/20 0.69

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
SCHEMBL9544395 1.00 ADRB3 (0.69) ADRB3ADRB1
Hydrochloric Acid SCHEMBL9542015 0.99 ADRB3 (0.67) ADRB3ADRB1
Hydrochloric Acid SCHEMBL9542010 0.99 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL4475205 0.96 ADRB3 (0.68) ADRB3ADRB1
SCHEMBL4475201 0.96 ADRB3 (0.68) ADRB3ADRB1
SCHEMBL27656151 0.94 ADRB3 (0.76) ADRB3ADRB1
SCHEMBL4478539 0.93 ADRB3 (0.70) ADRB3ADRB1
SCHEMBL4478543 0.93 ADRB3 (0.70) ADRB3ADRB1
SCHEMBL27635139 0.92 ADRB3 (0.73) ADRB3ADRB1
SCHEMBL6540789 0.91 ADRB3 (0.63) ADRB3ADRB1

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
WO-1993010074-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS BETA-3-ADRENOCEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO disclosed
US-5017619-A Anitdiabetic HOFFMANN-LA ROCHE INC. (US) 1991-05-21 US disclosed
EP-0198412-B1 PHENETHANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-03-22 EP disclosed