SCHEMBL7350171

SCHEMBL7350171

O=C(O)C1CCN(C2CCCC3C2OC(=O)N3C2CCN(c3ccnc(NC4CCCCC4)n3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.45
IDH1 O75874 6/20 0.42
ACACB O00763 1/20 0.38
HSD11B1 P28845 1/20 0.38
MAPK8 P45983 2/20 0.38
CXCR4 P61073 1/20 0.37
OGFRL1 Q5TC84 1/20 0.36
CCNK O75909 2/20 0.36
CDK12 Q9NYV4 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL7350177 0.90 HRH4 (0.43) HRH4IDH1ACACBMAPK8CXCR4
SCHEMBL7342860 0.87 ALK (0.42) OGFRL1
SCHEMBL7367195 0.86 PARP1 (0.38)
SCHEMBL7340532 0.85 OGA (0.42) HRH4IDH1CXCR4OGFRL1
SCHEMBL7344255 0.85 HRH3 (0.42) HRH4HSD11B1OGFRL1KDM4E
SCHEMBL27514045 0.79 HSD11B1 (0.37) HRH4HSD11B1
SCHEMBL27512997 0.77 SYK (0.39) HRH4CXCR4
SCHEMBL7342864 0.77 PARP1 (0.40)
SCHEMBL27513701 0.77 ALK (0.42) HSD11B1
SCHEMBL7367199 0.76 PARP1 (0.38)

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