SCHEMBL8082287

SCHEMBL8082287

Oc1cc(Cl)c(OCCCNCc2ccc(C(F)(F)F)cn2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 5/20 0.42
PDE2A O00408 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
BACE1 P56817 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL8075814 0.97 SCN8A (0.39) SCN8APDE2ACNR1CNR2KDM1A
SCHEMBL7979291 0.84 SCN8A (0.37) SCN8APDE2ACNR1CNR2KDM1A
SCHEMBL7976368 0.83 SCN8A (0.36) SCN8APDE2ACNR1CNR2KDM1A
SCHEMBL7238775 0.81 PRKAB2 (0.43) RAB9AMEN1KMT2AALDH1A1GAA
SCHEMBL7976373 0.81 SCN8A (0.34) SCN8APDE2ACNR1CNR2KDM1A
SCHEMBL7979569 0.80 SCN8A (0.34) SCN8APDE2ACNR1CNR2KDM1A
SCHEMBL7975901 0.79 SCN9A (0.49) KMT2A
SCHEMBL7976088 0.79 SCN8A (0.35) SCN8APDE2ACNR1CNR2KDM1A
SCHEMBL7073751 0.78 MRGPRX4 (0.47) RAB9AMEN1KMT2APOLB
SCHEMBL7071031 0.78 KMT2A (0.46) RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP claimed