SCHEMBL7349243

SCHEMBL7349243

O=C(O)C1CCC(CC2CCCC3C2OC(=O)N3C2CCN(c3ccnc(NCc4ccccc4)n3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 7/20 0.42
IDH1 O75874 5/20 0.40
VCP P55072 2/20 0.39
NAPEPLD Q6IQ20 1/20 0.37
ALK Q9UM73 1/20 0.36
CXCR4 P61073 1/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
SLC6A2 P23975 2/20 0.36
HTR1D P28221 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
Bicarbonate SCHEMBL7349248 0.92 OGA (0.43) OGAIDH1NAPEPLDCXCR4ADRA2B
SCHEMBL7376503 0.90 OGA (0.41) OGAIDH1ALKCXCR4ADRA2B
SCHEMBL27498068 0.88 IDH1 (0.40) OGAIDH1NAPEPLDALKCXCR4
SCHEMBL7340532 0.88 OGA (0.42) OGAIDH1NAPEPLDALKCXCR4
SCHEMBL7376506 0.82 OGA (0.42) OGAIDH1ALKCXCR4ADRA2B
SCHEMBL7340536 0.80 OGA (0.45) OGAIDH1NAPEPLDALKCXCR4
SCHEMBL27512997 0.79 SYK (0.39) ALKCXCR4HRH4HRH3
SCHEMBL7342860 0.77 ALK (0.42) ALK
SCHEMBL7348379 0.76 OGA (0.43) OGAIDH1ALKADRA2BADRA2C
SCHEMBL27513356 0.74 HRH3 (0.39) HRH4HRH3LMNA

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
CN-1219933-A Novel oxazolidine derivatives, process for their preparation and pharmaceutical preparations containing these compounds BOEHRINGER MANNHEIM GMBH (DE) 1999-06-16 CN disclosed
EP-0891359-A1 NOVEL OXAZOLIDINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-01-20 EP disclosed
WO-1997036899-A1 NOVEL OXAZOLIDINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1997-10-09 WO disclosed