SCHEMBL9330129

SCHEMBL9330129

CNC(=O)COc1ccc(CCNCC(O)COc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.65
ADRB1 P08588 16/20 0.65
ADRB2 P07550 7/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61

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
Hydrochloric Acid SCHEMBL9330483 0.99 ADRB3 (0.66) ADRB3ADRB1ADRB2CYP1A2CYP3A4
SCHEMBL9329788 0.90 ADRB1 (0.67) ADRB3ADRB1ADRB2CYP1A2CYP3A4
SCHEMBL10347028 0.88 ADRB1 (0.78) ADRB3ADRB1ADRB2CYP1A2CYP3A4
SCHEMBL8758078 0.88 ADRB3 (0.77) ADRB3ADRB1ADRB2CYP1A2
SCHEMBL9332316 0.88 ADRB3 (0.77) ADRB3ADRB1ADRB2CYP1A2
SCHEMBL9330113 0.87 ADRB3 (0.67) ADRB3ADRB1ADRB2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9330163 0.87 ADRB1 (0.76) ADRB3ADRB1ADRB2CYP1A2
Hydrochloric Acid SCHEMBL9330095 0.87 ADRB1 (0.76) ADRB3ADRB1ADRB2CYP1A2
Hydrochloric Acid SCHEMBL9330165 0.87 CYP3A4 (0.65) ADRB3ADRB1ADRB2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9330115 0.86 ADRB3 (0.67) ADRB3ADRB1ADRB2CYP1A2

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-0328251-B1 2-(2-Hydroxy-3-phenoxypropylamino)ethylphenoxyacetamides and processes and intermediates for their preparation ICI PLC (GB) 1994-04-13 EP disclosed
US-4999377-A 2-(2-hydroxy-3-phenoxypropylamino)ethylphenoxyacetamide compounds; dietetics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
EP-0328251-A2 2-(2-Hydroxy-3-phenoxypropylamino)ethylphenoxyacetamides and processes and intermediates for their preparation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-16 EP disclosed