SCHEMBL11468432

SCHEMBL11468432

CCOC(=O)c1ccc(C(C)CCNCC(O)c2ccc(O)c(CO)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.57
▸ ADRB1 P08588 7/20 0.57
▸ ADRB3 P13945 4/20 0.52

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
SCHEMBL11451308 0.91 ADRB2 (0.55) ADRB2ADRB1ADRB3
SCHEMBL10662466 0.82 ADRB2 (0.58) ADRB2ADRB1ADRB3
SCHEMBL11451001 0.81 ADRB2 (0.66) ADRB2ADRB1ADRB3
SCHEMBL10661301 0.80 ADRB2 (0.57) ADRB2ADRB1
SCHEMBL9763132 0.80 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL14220132 0.76 ADRB2 (0.78) ADRB2ADRB1
SCHEMBL9811975 0.75 ADRB2 (0.80) ADRB2ADRB1ADRB3
SCHEMBL9811981 0.75 ADRB2 (0.80) ADRB2ADRB1ADRB3
SCHEMBL11369787 0.75 ADRB2 (0.52) ADRB2ADRB1ADRB3
SCHEMBL13662070 0.74 ADRB2 (0.84) ADRB2ADRB1ADRB3

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
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 — — EP claimed
Send feedback