SCHEMBL7692223

SCHEMBL7692223

O=C(COc1cc(-c2c(CCCl)[nH]c(C(F)(F)F)c2CCCl)c(F)cc1Cl)NCC1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.37
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
HPGD P15428 2/20 0.35
GRM5 P41594 1/20 0.34
SCN9A Q15858 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CRHR1 P34998 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7694751 0.90 FAAH (0.38) FAAHACHEBCHEHPGDGRM5
SCHEMBL7687042 0.86 ROCK2 (0.34) MEN1KMT2ARAB9APKMROCK2
SCHEMBL7695064 0.86 ROCK2 (0.34) ROCK2ROCK1ALDH1A1MAPTGAA
SCHEMBL7688595 0.85 RAB9A (0.43) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL7690912 0.85 GAA (0.43) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL7693946 0.80 HTT (0.43) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL7696823 0.79 PDCD1 (0.33) ROCK2ROCK1
SCHEMBL7694737 0.78 FKBP1A (0.50) MEN1KMT2AALDH1A1GAA
SCHEMBL7692995 0.78 ROCK2 (0.33) HPGDROCK2ROCK1ALDH1A1GAA
SCHEMBL7694752 0.77 ROCK2 (0.34) NPC1RAB9AROCK2ROCK1ALDH1A1

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
WO-2002070476-A1 PHENYLPYRROLES WITH A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2002-09-12 WO disclosed