SCHEMBL8938141

SCHEMBL8938141

O=C(O)C(OCCNCC(O)c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.54
ADRB1 P08588 13/20 0.54
ADRB2 P07550 4/20 0.53

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
SCHEMBL8938122 0.86 ALDH1A1 (0.47) ADRB3ADRB1
SCHEMBL8938095 0.83 PNMT (0.49)
SCHEMBL8938143 0.79 ADRB3 (0.60) ADRB3ADRB1
SCHEMBL8938149 0.77 ALDH1A1 (0.45) ADRB3ADRB1ADRB2
SCHEMBL9192817 0.77 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL12186418 0.76 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL6245021 0.76 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL6540738 0.76 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL8901158 0.75 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL8901163 0.75 ADRB3 (0.64) ADRB3ADRB1ADRB2

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-5502078-A Chemical compounds ZENECA LIMITED (GB) 1996-03-26 US claimed