SCHEMBL10505428

SCHEMBL10505428

N#CC1=Cc2cccc(OCC(O)CNCCNC(=O)CCCO[N+](=O)[O-])c2OC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 15/20 0.41
▸ ADRB2 P07550 5/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL10505437 0.89 HTR1A (0.35) ADRB1ADRB2ADRB3
SCHEMBL10504207 0.87 HTR1A (0.35) ADRB1ADRB2ADRB3
SCHEMBL10504347 0.85 ADRB1 (0.41) ADRB1ADRB2ADRB3KDM4EMEN1
SCHEMBL10596735 0.81 ADRB1 (0.39) ADRB1ADRB2ADRB3KDM4EMEN1
SCHEMBL10504510 0.81 ADRB1 (0.39) ADRB1ADRB2ADRB3KDM4EMEN1
SCHEMBL10504024 0.79 ADRB2 (0.41) ADRB1ADRB2ADRB3
SCHEMBL10504318 0.76 ADRB2 (0.53) ADRB1ADRB2ADRB3KDM4EMEN1
SCHEMBL10505739 0.76 ADRB1 (0.44) ADRB1ADRB2ADRB3KDM4EMEN1
SCHEMBL10503927 0.75 ADRB3 (0.51) ADRB1ADRB2ADRB3KDM4EMEN1
SCHEMBL10503738 0.75 HTR1A (0.36) ADRB1ADRB2ADRB3MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 — — EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 — — US disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 — — EP disclosed
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