SCHEMBL9275635

SCHEMBL9275635

O=C(O)Cc1ccc(NCCNC[C@H](O)c2cccc(Cl)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.57
▸ ADRB1 P08588 18/20 0.57
▸ ADRB2 P07550 9/20 0.57

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
SCHEMBL9275631 1.00 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL9264106 0.84 ADRB2 (0.73) ADRB3ADRB1ADRB2
SCHEMBL9271478 0.84 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL9271485 0.84 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL9275941 0.82 ADRB3 (0.47) ADRB3ADRB1ADRB2
SCHEMBL9275938 0.82 ADRB3 (0.47) ADRB3ADRB1ADRB2
SCHEMBL7714487 0.80 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL7714568 0.80 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL8901158 0.78 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL8901163 0.78 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
WO-1995033724-A1 PHENETHANOLAMINE DERIVATIVES AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1995-12-14 — — WO disclosed
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