SCHEMBL7344262

SCHEMBL7344262

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.40
PDE4D Q08499 1/20 0.36
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL7344255 0.89 HRH3 (0.42) HRH3PDE4DHRH4
SCHEMBL27496064 0.86 HRH3 (0.40) HRH3PDE4DHRH4
SCHEMBL7342864 0.85 PARP1 (0.40) HRH3
SCHEMBL7367199 0.85 PARP1 (0.38) HRH3
SCHEMBL7340536 0.84 OGA (0.45) HRH3HRH4
Bicarbonate SCHEMBL7350589 0.80 HRH3 (0.42) HRH3PDE4DHRH4
SCHEMBL7461968 0.80 ACACB (0.39) HRH3
SCHEMBL7350586 0.78 HRH3 (0.41) HRH3PDE4DHRH4
SCHEMBL27513356 0.76 HRH3 (0.39) HRH3PDE4DHRH4
SCHEMBL7348379 0.76 OGA (0.43) HRH3HRH4

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