SCHEMBL7345833

SCHEMBL7345833

O=C(O)OC1CCN(CCC2CCCC3C2OC(=O)N3N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.39
HTR7 P34969 1/20 0.38
DRD4 P21917 1/20 0.35
SLC6A4 P31645 1/20 0.35
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL7345827 0.89 HTR7 (0.39) HRH3HTR7DRD4SLC6A4ITGB3
SCHEMBL7343911 0.78 HRH3 (0.44) HRH3ITGB3ITGA2B
SCHEMBL8554007 0.77 HRH3 (0.42) HRH3HTR7DRD4SLC6A4ITGB3
SCHEMBL7375522 0.74 GPR119 (0.36) HRH3
SCHEMBL8644656 0.73 HRH3 (0.39) HRH3HTR7DRD4SLC6A4ITGB3
SCHEMBL7349534 0.71 HRH3 (0.35) HRH3
SCHEMBL8595580 0.68 HTR7 (0.34) HRH3HTR7DRD4SLC6A4DRD2
SCHEMBL8553302 0.68 HRH3 (0.41) HRH3ITGB3ITGA2B
SCHEMBL8552786 0.67 HTR2B (0.45) HRH3ITGB3ITGA2B
SCHEMBL8593632 0.67 HTR2B (0.45) HRH3ITGB3ITGA2B

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