SCHEMBL7971923

SCHEMBL7971923

Clc1cccc([CH]c2cncc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.47
CYP1A2 P05177 5/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NFE2L2 Q16236 1/20 0.41
DAPK3 O43293 1/20 0.40
FBP1 P09467 2/20 0.40
CHAT P28329 1/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL8436212 0.86 CYP11B2 (0.39) CHRM5MAPTMAOB
SCHEMBL7969830 0.86 TP53 (0.43) CHRM5CYP1A2CYP2C9CYP3A4DAPK3
SCHEMBL8438601 0.86 CHRM5 (0.42) CHRM5CYP1A2CYP2C9CYP2D6CYP3A4
SCHEMBL3300271 0.83 CHRM5 (0.62) CHRM5CYP1A2CYP2C9CYP2D6FBP1
SCHEMBL7958570 0.83 CYP11B2 (0.46) CYP1A2CYP2D6CYP3A4CYP1A1CYP1B1
SCHEMBL8435518 0.83 CYP1A1 (0.54) CHRM5CYP1A2CYP2D6CYP3A4CYP1A1
SCHEMBL7974639 0.82 CHRM5 (0.46) CHRM5CYP1A2CYP2D6CYP3A4CYP1A1
SCHEMBL4148570 0.82 MAPK1 (0.41) CHRM5CYP1A2CYP2C9CYP2D6CYP3A4
SCHEMBL7972130 0.81 ALOX5 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7972129 0.80 ALDH1A1 (0.50) NFE2L2FBP1MEN1KMT2AMAPT

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-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed
US-5968947-A INSECTICIDES, ACARICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1999-10-19 US disclosed