SCHEMBL7345827

SCHEMBL7345827

O=C(O)C1CCN(CCC2CCCC3C2OC(=O)N3N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
ITGB3 P05106 7/20 0.38
ITGA2B P08514 7/20 0.38
HRH3 Q9Y5N1 4/20 0.37
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
DRD4 P21917 1/20 0.35
SLC6A4 P31645 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
SCHEMBL7345833 0.89 HRH3 (0.39) HTR7ITGB3ITGA2BHRH3DRD2
SCHEMBL8352452 0.76 ITGB3 (0.39) HTR7ITGB3ITGA2BHRH3
SCHEMBL7375519 0.72 RIPK1 (0.41)
SCHEMBL8355509 0.72 HTR7 (0.44) HTR7ITGB3ITGA2B
SCHEMBL8644651 0.71 ITGB3 (0.41) HTR7ITGB3ITGA2BHRH3
SCHEMBL7349527 0.70 F10 (0.33) ITGB3ITGA2B
SCHEMBL7371295 0.69 RIPK1 (0.38)
SCHEMBL742952 0.69 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL8349498 0.69 F10 (0.41) HTR7ITGB3ITGA2BHRH3DRD4
SCHEMBL8351619 0.68 F10 (0.41) HTR7ITGB3ITGA2BHRH3DRD4

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-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