SCHEMBL8723609

SCHEMBL8723609

O=C(NCC1CC1)c1cncc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
NTRK1 P04629 4/20 0.49
SCN9A Q15858 8/20 0.47
GAA P10253 1/20 0.44
MCHR1 Q99705 1/20 0.43
NAPEPLD Q6IQ20 2/20 0.43

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
SCHEMBL8721030 0.85 MAPT (0.55) MAPTNTRK1SCN9AGAA
SCHEMBL8725913 0.85 MAPT (0.54) MAPTNTRK1SCN9A
SCHEMBL8721039 0.83 SCN9A (0.55) MAPTNTRK1SCN9A
SCHEMBL8720742 0.83 MAPT (0.52) MAPTNTRK1SCN9AGAA
SCHEMBL8721207 0.79 NTRK1 (0.63) MAPTNTRK1GAA
SCHEMBL8725895 0.78 NTRK1 (0.58) MAPTNTRK1GAA
SCHEMBL8720560 0.78 KDM4E (0.63) MAPTNTRK1GAA
SCHEMBL8720589 0.78 NTRK1 (0.58) MAPTNTRK1GAA
SCHEMBL6944159 0.78 NTRK1 (0.61) MAPTNTRK1GAA
SCHEMBL8721048 0.77 GAA (0.59) MAPTNTRK1GAA

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-0700391-B1 HERBICIDAL COMPOUNDS SHELL INT RESEARCH (NL) 1998-10-21 EP claimed