SCHEMBL7690089

SCHEMBL7690089

O=C(OCC1CC1)c1cc(-c2c(CCl)[nH]c(C(F)(F)F)c2CCl)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
SCN9A Q15858 6/20 0.34
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
WDR5 P61964 1/20 0.30

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
SCHEMBL7695301 0.82 ROCK2 (0.31)
SCHEMBL7689277 0.79 ROCK2 (0.32) GAA
SCHEMBL7687932 0.77 GAA (0.31) GAA
SCHEMBL7694751 0.76 FAAH (0.38) GAASCN9APKMMAPTHPGD
SCHEMBL7687816 0.76 BACE1 (0.36) GAACYP2C19HPGD
SCHEMBL7690112 0.75 GYS1 (0.31)
SCHEMBL7693096 0.74 ROCK2 (0.31)
SCHEMBL7690087 0.73 GAA (0.38) GAASCN9ACHRM2CHRM3CYP1A2
SCHEMBL7694246 0.71 HTT (0.44) GAALMNAMAPTHPGDSMN1; SMN2
SCHEMBL7693702 0.71 ROCK2 (0.30)

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