SCHEMBL8840437

SCHEMBL8840437

COCc1nccc(N(OCc2ccccc2)[C@H]2CC[C@@H](c3ccc(OCC(OC)OC)cc3)CC2)c1OC

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL8840454 0.90 TP53 (0.34) KDM1AMAOAMAOBMRGPRX4HRH3
SCHEMBL8840417 0.89 GRM2 (0.34)
SCHEMBL8840423 0.88 HRH3 (0.36) KDM1AMAOAMAOBMRGPRX4HRH3
SCHEMBL8840554 0.88 MAPT (0.33) KDM1AMAOAMAOBMRGPRX4
SCHEMBL8840399 0.88 HRH3 (0.35) KDM1AMAOAMAOBMRGPRX4HRH3
SCHEMBL8840408 0.87 FOXM1 (0.34) KDM1AMAOAMAOBMRGPRX4HRH3
SCHEMBL8840410 0.87 FOXM1 (0.34) KDM1AMAOAMAOBMRGPRX4HRH3
SCHEMBL8840395 0.86 LRRK2 (0.31)
SCHEMBL9035774 0.83 KDM4E (0.35) KDM1AMAOAMAOBMRGPRX4HRH3
SCHEMBL8840416 0.79 TP53 (0.35) KDM1AMAOAMAOBMRGPRX4HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed