SCHEMBL7461968

SCHEMBL7461968

O=C(O)OC1CCN(C2CCCC3C2OC(=S)N3C2CCN(c3ccnc(N4CCCC4)n3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.39
GBA1 P04062 1/20 0.35
HRH3 Q9Y5N1 3/20 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
SCHEMBL7344262 0.80 HRH3 (0.40) HRH3
SCHEMBL7350177 0.76 HRH4 (0.43) ACACBHRH3
SCHEMBL7342864 0.76 PARP1 (0.40) HRH3
SCHEMBL7367199 0.75 PARP1 (0.38) HRH3
SCHEMBL7340536 0.75 OGA (0.45) HRH3
Bicarbonate SCHEMBL7341736 0.69 GBA1 (0.36) ACACBGBA1
SCHEMBL7344255 0.68 HRH3 (0.42) HRH3
SCHEMBL7341730 0.68 KDM4E (0.35) ACACBGBA1
SCHEMBL7581624 0.67
SCHEMBL7348379 0.67 OGA (0.43) HRH3

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