SCHEMBL8840484

SCHEMBL8840484

COCc1nccc(N(OCc2ccccc2)[C@H]2CC[C@@H](c3ccccc3)CC2)c1Br

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
OPRM1 P35372 2/20 0.32
MGLL Q99685 1/20 0.31
TRPV6 Q9H1D0 2/20 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
SCHEMBL8840417 0.88 GRM2 (0.34) KDM4EOPRM1TRPV6
SCHEMBL8840575 0.84
SCHEMBL9035774 0.82 KDM4E (0.35) KDM4EOPRM1TRPV6
SCHEMBL9035388 0.80 KDM4E (0.36) KDM4EOPRM1MGLLTRPV6
SCHEMBL8840454 0.80 TP53 (0.34)
SCHEMBL9033878 0.79 KDM4E (0.34) KDM4EOPRM1TRPV6
SCHEMBL8840380 0.79 KDM4E (0.34) KDM4EOPRM1
SCHEMBL8840554 0.79 MAPT (0.33)
SCHEMBL8840399 0.79 HRH3 (0.35)
SCHEMBL8840410 0.78 FOXM1 (0.34)

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