SCHEMBL10503571

SCHEMBL10503571

Cc1cc(OCC(O)CNC(C)(C)CNC(=O)CCC(C)O[N+](=O)[O-])c(C)c(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ACHE P22303 1/20 0.35
▸ ADRB2 P07550 6/20 0.34
▸ ADRB1 P08588 6/20 0.34
▸ ADRB3 P13945 4/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32

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
SCHEMBL10504556 0.91 L3MBTL1 (0.39) L3MBTL1ACHEADRB2ADRB1ADRB3
SCHEMBL10507089 0.84 L3MBTL1 (0.38) L3MBTL1ACHEADRB2ADRB1ADRB3
SCHEMBL10506877 0.82 L3MBTL1 (0.48) L3MBTL1ACHEADRB2ADRB1ADRB3
Fumaric Acid SCHEMBL10593162 0.80 PDE5A (0.36) L3MBTL1ACHEADRB2ADRB1ADRB3
SCHEMBL10505550 0.80 L3MBTL1 (0.38) L3MBTL1ACHEADRB2ADRB1ADRB3
SCHEMBL10506404 0.79 CYP2D6 (0.49) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL10503105 0.77 ADRB2 (0.50) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL10593421 0.77 ADRB2 (0.42) L3MBTL1ACHEADRB2ADRB1ADRB3
SCHEMBL10503441 0.77 ADRB2 (0.36) L3MBTL1ACHEADRB2ADRB1ADRB3
Fumaric Acid SCHEMBL10592889 0.77 L3MBTL1 (0.35) L3MBTL1ACHEADRB2ADRB1ADRB3

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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