SCHEMBL7976269

SCHEMBL7976269

CCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCCNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
SCN9A Q15858 2/20 0.35
SCN8A Q9UQD0 1/20 0.35
RHOC P08134 2/20 0.34
RHOA P61586 2/20 0.34
CACNA1B Q00975 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.33
CACNA1H O95180 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 4/20 0.32
PPARA Q07869 4/20 0.32
PPARD Q03181 2/20 0.32

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
SCHEMBL7975920 0.97 HTT (0.40) HTTSCN9ASCN8ARHOCRHOA
SCHEMBL7977675 0.94 HTT (0.38) HTTSCN9ASCN8ARHOCRHOA
SCHEMBL7979320 0.91 HTT (0.37) HTTSCN9ASCN8ARHOCRHOA
SCHEMBL7979566 0.87 SCN8A (0.43) HTTSCN9ASCN8ARHOCRHOA
SCHEMBL7075427 0.87 PRKAB2 (0.40) HTTSCN9AMEN1KMT2AMAPT
SCHEMBL7979432 0.87 MAPT (0.37) HTTSCN8AMEN1KMT2AMAPT
SCHEMBL7982370 0.87 MAPT (0.37) HTTSCN9AMAPTLMNASMN1; SMN2
SCHEMBL8407683 0.87 PPARA (0.41) HTTRHOCRHOAPPARGPPARA
SCHEMBL8407714 0.87 PPARA (0.41) HTTPPARGPPARAPPARD
SCHEMBL7976273 0.87 RHOC (0.47) HTTRHOCRHOAKMT2AMAPT

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-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed