SCHEMBL458342

SCHEMBL458342

C[C]1CC(c2ccccc2)=CC=C1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL457754 0.79 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL457299 0.78 PDE4D (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL455952 0.72 APP (0.34) CHRM2CHRM1
SCHEMBL458235 0.72 ALDH1A1 (0.33)
SCHEMBL3982745 0.71 ALDH1A1 (0.47) NPC1RAB9A
SCHEMBL21625337 0.69 NPC1 (0.45) NPC1RAB9A
SCHEMBL455470 0.67 HPGD (0.32) NPC1RAB9A
SCHEMBL23260378 0.66 PTPN1 (0.33) NPC1RAB9A
SCHEMBL7823302 0.66 ALDH1A1 (0.37) NPC1RAB9A
SCHEMBL455859 0.64 APP (0.31)

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
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed