SCHEMBL10836817

SCHEMBL10836817

CNCCN(C)CC(O)COc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ ADRB2 P07550 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ ADRB3 P13945 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PRMT5 O14744 1/20 0.46
▸ WDR77 Q9BQA1 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CDK4 P11802 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 0.84 KDM4E (0.59) LMNAKDM4EMAPK1POLBCYP2D6
SCHEMBL10838063 0.82 HIF1A (0.51) LMNAKDM4EMAPK1POLBCYP2D6
SCHEMBL15296872 0.81 POLB (0.53) LMNAKDM4EMAPK1POLBCYP2D6
SCHEMBL258823 0.78 HIF1A (0.75) LMNAPOLBCYP2D6ADRB2ADRB1
SCHEMBL11273462 0.78 LMNA (0.59) LMNAKDM4EMAPK1POLBHIF1A
SCHEMBL7370828 0.78 LMNA (0.47) LMNAKDM4EMAPK1POLBCYP2D6
SCHEMBL19648494 0.78 MEN1 (0.57) LMNAMAPK1POLBMEN1KMT2A
SCHEMBL6264190 0.75 HIF1A (0.57) LMNAKDM4EPOLBCYP2D6ADRB2
SCHEMBL11438620 0.75 CHRNB2 (0.58) LMNAKDM4EMAPK1POLBHIF1A
SCHEMBL16090435 0.75 ADRB1 (0.70) LMNAKDM4ECYP2D6ADRB2ADRB1

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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