SCHEMBL7340532

SCHEMBL7340532

O=C(O)C1CCN(C2CCCC3C2OC(=O)N3C2CCN(c3ccnc(NCc4ccccc4)n3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.42
IDH1 O75874 6/20 0.42
ALK Q9UM73 2/20 0.38
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.37

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
SCHEMBL7340536 0.90 OGA (0.45) OGAIDH1ALKHRH4HRH3
SCHEMBL7376503 0.89 OGA (0.41) OGAIDH1ALKHRH4HRH3
SCHEMBL7342860 0.89 ALK (0.42) ALKOGFRL1IGF1R
SCHEMBL7349243 0.88 OGA (0.42) OGAIDH1ALKHRH4HRH3
SCHEMBL27498068 0.86 IDH1 (0.40) OGAIDH1ALKHRH4HRH3
SCHEMBL7348379 0.86 OGA (0.43) OGAIDH1ALKHRH4HRH3
SCHEMBL7350171 0.85 HRH4 (0.45) IDH1HRH4OGFRL1CXCR4
SCHEMBL7367195 0.85 PARP1 (0.38) ALKIGF1R
SCHEMBL7344255 0.83 HRH3 (0.42) HRH4HRH3OGFRL1
Bicarbonate SCHEMBL7349248 0.83 OGA (0.43) OGAIDH1HRH4HRH3ADRA2B

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