SCHEMBL11488244

SCHEMBL11488244

CCCOC(C)Oc1ccc(OCC(O)CNCCN)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 6/20 0.44
▸ ADRB2 P07550 6/20 0.44
▸ ADRB1 P08588 5/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41

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
SCHEMBL10836940 0.86 ATM (0.53) ADRB3ADRB2ADRB1ATMCYP1A2
SCHEMBL20436123 0.83 ADRB3 (0.54) ADRB3ADRB2ADRB1ATMCYP1A2
SCHEMBL11009261 0.82 PLA2G4B (0.54) ADRB3ADRB2ADRB1ATMCYP1A2
SCHEMBL18506359 0.82 ADRB3 (0.60) ADRB3ADRB2ADRB1ATMCYP1A2
SCHEMBL11488238 0.81 ADRB3 (0.51) ADRB3ADRB2ADRB1ATMCYP1A2
SCHEMBL10838546 0.78 ADRB3 (0.66) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL20436115 0.78 ADRB3 (0.54) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL11499941 0.77 ADRB3 (0.53) ADRB3ADRB2ADRB1ATMCYP1A2
SCHEMBL17038023 0.76 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1OPRM1
SCHEMBL17038022 0.76 ADRB3 (0.71) ADRB3ADRB2ADRB1MEN1OPRM1

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-4216314-A CARDIOSELECTIVE B-ADRENOLYTIC AGENTS, ANTIARRHYTHMIC AGENTS AND HYPOTENSIVE AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DE) 1980-08-05 — — US disclosed
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