SCHEMBL7344255

SCHEMBL7344255

Nc1nccc(N2CCC(N3C(=O)OC4C(N5CCC(C(=O)O)CC5)CCCC43)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
NEK2 P51955 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
PDE4D Q08499 1/20 0.36
OGFRL1 Q5TC84 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
BTK Q06187 1/20 0.33
F10 P00742 4/20 0.32
ITGB3 P05106 4/20 0.32
ITGA2B P08514 4/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
HSD11B1 P28845 1/20 0.32
MAP4K4 O95819 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 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
SCHEMBL7344262 0.89 HRH3 (0.40) HRH3HRH4PDE4D
SCHEMBL27496064 0.89 HRH3 (0.40) HRH3HRH4PDE4DBTKHSD11B1
SCHEMBL7350586 0.88 HRH3 (0.41) HRH3NEK2HRH4PDE4DKDM4E
SCHEMBL27513356 0.87 HRH3 (0.39) HRH3NEK2HRH4PDE4DKDM4E
SCHEMBL7342860 0.85 ALK (0.42) OGFRL1
SCHEMBL7350171 0.85 HRH4 (0.45) HRH4OGFRL1KDM4EHSD11B1
SCHEMBL7367195 0.84 PARP1 (0.38)
SCHEMBL7340532 0.83 OGA (0.42) HRH3HRH4OGFRL1
Bicarbonate SCHEMBL7350589 0.82 HRH3 (0.42) HRH3HRH4PDE4DBTKMAP4K4
SCHEMBL27559858 0.78 NEK2 (0.44) NEK2OGFRL1KDM4ELMNAHTT

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