SCHEMBL7375522

SCHEMBL7375522

O=C(O)OC1CCN(C2CCCC3C2OC(=O)N3N2CCN(c3ccncn3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.36
RIPK1 Q13546 1/20 0.35
HRH3 Q9Y5N1 7/20 0.35
LSS P48449 1/20 0.33
SORD Q00796 1/20 0.33
PARP1 P09874 3/20 0.33
ROCK1 Q13464 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
CHRM1 P11229 1/20 0.31

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
SCHEMBL7375519 0.88 RIPK1 (0.41) GPR119RIPK1LSSSORDPARP1
Bicarbonate SCHEMBL7371296 0.79 GPR119 (0.38) GPR119RIPK1LSSSORDPARP1
SCHEMBL7345833 0.74 HRH3 (0.39) HRH3
SCHEMBL7344376 0.74 GPR119 (0.37) GPR119RIPK1HRH3LSSSORD
SCHEMBL7344262 0.72 HRH3 (0.40) HRH3
SCHEMBL7367199 0.71 PARP1 (0.38) HRH3PARP1
SCHEMBL7342864 0.69 PARP1 (0.40) HRH3PARP1
SCHEMBL8551353 0.68 HTR2B (0.42) GPR119RIPK1HRH3LSSSORD
SCHEMBL7340536 0.67 OGA (0.45) HRH3
SCHEMBL16684964 0.67 GPR119 (0.53) GPR119RIPK1HRH3LSSSORD

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