SCHEMBL10838546

SCHEMBL10838546

COc1ccc(OCC(O)CNCCN)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 10/20 0.66
▸ ADRB2 P07550 4/20 0.66
▸ ADRB1 P08588 4/20 0.66
▸ ALDH1A1 P00352 3/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ CASR P41180 1/20 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
SCHEMBL18506359 0.92 ADRB3 (0.60) ADRB3ADRB2ADRB1KMT2AMAPT
SCHEMBL20436123 0.88 ADRB3 (0.54) ADRB3ADRB2ADRB1KMT2AMEN1
SCHEMBL13719534 0.87 ADRB3 (0.68) ADRB3ADRB2ADRB1ALDH1A1KMT2A
SCHEMBL17038022 0.86 ADRB3 (0.71) ADRB3ADRB2ADRB1KMT2AMEN1
SCHEMBL17038023 0.86 ADRB3 (0.71) ADRB3ADRB2ADRB1KMT2AMEN1
SCHEMBL10836940 0.85 ATM (0.53) ADRB3ADRB2ADRB1ALDH1A1KMT2A
SCHEMBL11376334 0.85 KMT2A (0.56) ADRB3ADRB2ADRB1KMT2AMAPT
SCHEMBL18506367 0.85 ADRB3 (0.61) ADRB3ADRB2ADRB1KMT2AMEN1
SCHEMBL7327969 0.84 MEN1 (0.68) ADRB3ADRB2ADRB1KMT2AMAPT
SCHEMBL20441143 0.84 KDM4E (0.60) ADRB3ADRB2ADRB1ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4608383-A Cardioactive pyrazole and imidazole aryloxypropanolamines BOEHRINGER MANNHEIM GMBH (DE) 1986-08-26 — — US disclosed
EP-0042593-B1 ARYLOXY-PROPANOL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1985-04-03 — — EP disclosed
US-4438128-A ADRENERGIC BLOCKERS BOEHRINGER MANNHEIM GMBH (DE) 1984-03-20 — — US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 — — EP disclosed
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