SCHEMBL7344376

SCHEMBL7344376

O=C(O)OC1CCN(CC2CCCC3C2OC(=O)N3C2CCN(c3ccncn3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.37
HRH3 Q9Y5N1 11/20 0.35
RIPK1 Q13546 1/20 0.33
PARP1 P09874 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CYP2D6 P10635 1/20 0.32
DPP4 P27487 1/20 0.32
KCNH2 Q12809 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
LSS P48449 1/20 0.31
SORD Q00796 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
SCHEMBL7344373 0.89 RIPK1 (0.38) GPR119RIPK1PARP1GPBAR1CYP2D6
SCHEMBL7343911 0.88 HRH3 (0.44) HRH3
SCHEMBL7349534 0.83 HRH3 (0.35) HRH3
SCHEMBL8551353 0.79 HTR2B (0.42) GPR119HRH3RIPK1PARP1GPBAR1
SCHEMBL7367199 0.76 PARP1 (0.38) HRH3PARP1
SCHEMBL7344262 0.74 HRH3 (0.40) HRH3
SCHEMBL7342864 0.74 PARP1 (0.40) HRH3PARP1
SCHEMBL7375522 0.74 GPR119 (0.36) GPR119HRH3RIPK1PARP1GPBAR1
SCHEMBL7376503 0.72 OGA (0.41) HRH3
SCHEMBL7349527 0.71 F10 (0.33)

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