SCHEMBL7713434

SCHEMBL7713434

OC(c1cnc(-c2ccc(OC(F)(F)F)cc2)nc1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
SCN10A Q9Y5Y9 8/20 0.39
KCNH2 Q12809 4/20 0.39
SCN5A Q14524 4/20 0.39
SCN9A Q15858 3/20 0.39
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN8A Q9UQD0 2/20 0.39
FAAH O00519 3/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7713401 0.82 CLK4 (0.47) MEN1KMT2A
SCHEMBL18291931 0.81 PDE2A (0.41) PDE2A
SCHEMBL9951087 0.77 TRPV3 (0.45) PDE2AGABBR2GABBR1MEN1KMT2A
SCHEMBL10200042 0.76 TRPV3 (0.47) PDE2AGABBR2GABBR1MEN1KMT2A
SCHEMBL1228649 0.75 AURKA (0.49) SCN10AKCNH2SCN5ASCN9ASCN1A
SCHEMBL27875527 0.74 SCN10A (0.45) PDE2ASCN10AKCNH2SCN5ASCN9A
SCHEMBL9061842 0.73 CHRNA7 (0.51) SCN10AKCNH2SCN5ASCN9ASCN1A
SCHEMBL8961206 0.72 KDM1A (0.51) SCN10AKCNH2SCN5ASCN9ASCN1A
SCHEMBL12614281 0.72 VNN1 (0.52) SCN10AMEN1KMT2A
SCHEMBL9062065 0.72 CHRNA7 (0.50) SCN10AKCNH2SCN5ASCN9ASCN1A

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
US-RE37664-E1 Use of derivatives of N-phenl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESSELLSCHAFT (DE) 2002-04-16 US disclosed