SCHEMBL10838063

SCHEMBL10838063

CN(CCN)CC(O)COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP2D6 P10635 2/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ ADRB3 P13945 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ PRMT5 O14744 1/20 0.46
▸ WDR77 Q9BQA1 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL12212607 0.86 KDM4E (0.59) HIF1APOLBLMNAMAPK1KDM4E
SCHEMBL15296872 0.84 POLB (0.53) HIF1APOLBLMNAMAPK1KDM4E
SCHEMBL10836817 0.82 LMNA (0.49) HIF1APOLBLMNAMAPK1KDM4E
SCHEMBL10918941 0.82 POLB (0.48) HIF1APOLBLMNAMAPK1KDM4E
SCHEMBL6264190 0.81 HIF1A (0.57) HIF1APOLBLMNAKDM4ECYP2D6
SCHEMBL258823 0.80 HIF1A (0.75) HIF1APOLBLMNACYP2D6ADRB2
SCHEMBL7370828 0.80 LMNA (0.47) HIF1APOLBLMNAMAPK1KDM4E
SCHEMBL11273462 0.80 LMNA (0.59) HIF1APOLBLMNAMAPK1KDM4E
SCHEMBL11438620 0.77 CHRNB2 (0.58) HIF1APOLBLMNAMAPK1KDM4E
SCHEMBL19648494 0.77 MEN1 (0.57) POLBLMNAMAPK1MEN1KMT2A

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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