SCHEMBL10503152

SCHEMBL10503152

Cc1ccc(Cl)c(OCC(O)CNC(C)(C)CNC(=O)CCCCO[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SLC2A1 P11166 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ CASR P41180 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ADRB2 P07550 5/20 0.36
▸ ADRB1 P08588 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL10503760 0.97 L3MBTL1 (0.48) L3MBTL1SLC2A1NPSR1ALDH1A1CASR
Fumaric Acid SCHEMBL10592582 0.95 L3MBTL1 (0.44) L3MBTL1SLC2A1NPSR1ALDH1A1CASR
SCHEMBL10504030 0.92 SLC2A1 (0.46) L3MBTL1SLC2A1ALDH1A1CASRKMT2A
SCHEMBL10504761 0.91 L3MBTL1 (0.47) L3MBTL1SLC2A1NPSR1ALDH1A1CASR
SCHEMBL10504594 0.90 SLC2A1 (0.47) L3MBTL1SLC2A1ALDH1A1CASRKMT2A
SCHEMBL10592577 0.87 L3MBTL1 (0.35) L3MBTL1NPSR1ALDH1A1KDM4EPTGS1
SCHEMBL10506877 0.85 L3MBTL1 (0.48) L3MBTL1SLC2A1NPSR1ALDH1A1CASR
SCHEMBL10504203 0.83 L3MBTL1 (0.49) L3MBTL1SLC2A1NPSR1ALDH1A1CASR
SCHEMBL10503951 0.83 GRK3 (0.40) L3MBTL1CASRKMT2AMEN1ADRB2
SCHEMBL10592973 0.82 CASR (0.49) CASRKMT2AMEN1ADRB2ADRB1

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 2 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
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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