SCHEMBL10668774

SCHEMBL10668774

Cc1cccc(C)c1NCCNCC(O)c1ccc(O)c(NS(C)(=O)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 18/20 0.65
▸ ADRB2 P07550 2/20 0.54

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
SCHEMBL10664612 0.86 ADRB3 (0.47) ADRB3ADRB2
SCHEMBL10668669 0.83 ADRB2 (0.52) ADRB3ADRB2
SCHEMBL11747553 0.82 ADRB3 (0.74) ADRB3ADRB2
SCHEMBL3136753 0.81 ADRB3 (0.72) ADRB3ADRB2
Hydrochloric Acid SCHEMBL11744017 0.81 ADRB3 (0.72) ADRB3ADRB2
Hydrochloric Acid SCHEMBL11669931 0.80 ADRB3 (0.71) ADRB3ADRB2
SCHEMBL7610796 0.79 ADRB3 (0.67) ADRB3ADRB2
SCHEMBL10669667 0.79 HIF1A (0.62) ADRB3ADRB2
SCHEMBL10667097 0.77 HIF1A (0.49) ADRB3ADRB2
SCHEMBL10665538 0.77 HIF1A (0.42) ADRB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4721717-A α-(aminoalkylaminomethyl)phenylmethanols, composition containing them, and use thereof to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-01-26 — — US disclosed
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