SCHEMBL9035388

SCHEMBL9035388

CCc1nccc(N(OCc2ccccc2)[C@H]2CC[C@@H](c3ccccc3)CC2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
NR3C1 P04150 1/20 0.32
GRM2 Q14416 2/20 0.31
OPRM1 P35372 2/20 0.31
TRPV6 Q9H1D0 2/20 0.31
MGLL Q99685 1/20 0.30
HCRTR2 O43614 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL9035774 0.87 KDM4E (0.35) KDM4EGRM2OPRM1TRPV6
SCHEMBL27449714 0.85 MEN1 (0.32) KDM4EGRM2MEN1KMT2A
SCHEMBL9034971 0.83
SCHEMBL8840380 0.82 KDM4E (0.34) KDM4EOPRM1HCRTR2
SCHEMBL8840417 0.80 GRM2 (0.34) KDM4EGRM2OPRM1TRPV6
SCHEMBL8840484 0.80 KDM4E (0.33) KDM4EOPRM1TRPV6MGLL
SCHEMBL9033878 0.78 KDM4E (0.34) KDM4ENR3C1GRM2OPRM1TRPV6
SCHEMBL8840416 0.77 TP53 (0.35) KDM4E
SCHEMBL8840443 0.76 L3MBTL1 (0.33) GRM2
SCHEMBL8840454 0.75 TP53 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719256-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-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed