SCHEMBL7350177

SCHEMBL7350177

O=C(O)OC1CCN(C2CCCC3C2OC(=O)N3C2CCN(c3ccnc(NC4CCCCC4)n3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.43
ACACB O00763 1/20 0.42
IDH1 O75874 6/20 0.41
ROCK2 O75116 2/20 0.37
MAPK8 P45983 2/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
CXCR4 P61073 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
EGFR P00533 1/20 0.34
MAPK9 P45984 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
SCHEMBL7350171 0.90 HRH4 (0.45) HRH4ACACBIDH1MAPK8CCNK
SCHEMBL7342864 0.88 PARP1 (0.40) HRH3
SCHEMBL7367199 0.87 PARP1 (0.38) HRH3
SCHEMBL7340536 0.86 OGA (0.45) HRH4IDH1CXCR4HRH3
SCHEMBL7344262 0.85 HRH3 (0.40) HRH4HRH3
SCHEMBL7348379 0.78 OGA (0.43) HRH4IDH1HRH3
SCHEMBL27514045 0.77 HSD11B1 (0.37) HRH4HRH3
SCHEMBL7342860 0.77 ALK (0.42)
SCHEMBL7367195 0.76 PARP1 (0.38)
SCHEMBL7376506 0.76 OGA (0.42) HRH4IDH1CXCR4HRH3

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