SCHEMBL11190826

SCHEMBL11190826

COc1ncc(COCCCCNCC(O)c2ccc(O)c(C(N)=O)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.50
ADRB3 P13945 14/20 0.50
ADRB1 P08588 13/20 0.50

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
SCHEMBL11193715 0.89 ADRB2 (0.49) ADRB2ADRB3ADRB1
SCHEMBL11203650 0.87 ADRB2 (0.51) ADRB2ADRB3ADRB1
SCHEMBL11199082 0.86 ADRB2 (0.55) ADRB2ADRB3ADRB1
SCHEMBL11190815 0.84 ADRB1 (0.60) ADRB2ADRB3ADRB1
SCHEMBL11189856 0.84 ADRB2 (0.66) ADRB2ADRB3ADRB1
SCHEMBL11191861 0.83 ADRB2 (0.50) ADRB2ADRB3ADRB1
SCHEMBL11193789 0.83 ADRB2 (0.53) ADRB2ADRB3ADRB1
SCHEMBL11195924 0.82 ADRB2 (0.48) ADRB2ADRB3ADRB1
SCHEMBL10709904 0.79 ADRB2 (0.59) ADRB2ADRB3ADRB1
SCHEMBL11197338 0.79 ADRB2 (0.54) ADRB2ADRB3ADRB1

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-4379166-A Arylmethoxy-, arylmethylthio-, heteroarylmethoxy-, and heteroarylmethylthio-alkylaminoalcohols SCHERING CORPORATION (US) 1983-04-05 US disclosed