SCHEMBL27634892

SCHEMBL27634892

CC(C)(C)OC(=O)c1c(C(=O)O)ccc(-c2ccc(Cl)cc2)c1CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.39
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GRM6 O15303 1/20 0.34
MAP4K4 O95819 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
DPP4 P27487 3/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL7350807 0.82 GRM6 (0.36) GRM6DPP4NPC1RAB9AKDM4E
SCHEMBL7140415 0.77 GRM6 (0.36) GRM6DPP4KDM4EALDH1A1MAPT
SCHEMBL27755305 0.70 ALDH1A1 (0.50) CNR1CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1899041 0.69 PRKCZ (0.70) PRKCZGRM6ALDH1A1MAPT
Ethane SCHEMBL4640067 0.69 ALDH1A1 (0.49) CNR1CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5454951 0.69 DPP4 (0.53) PRKCZDPP4DPP8DPP9
SCHEMBL5841080 0.69 SLC7A5 (0.42) GRM6KDM4EALDH1A1MAPT
SCHEMBL29510775 0.69 GRM6 (0.44) GRM6KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL30141457 0.69 GRM6 (0.44) GRM6KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6868591 0.69 SMN1; SMN2 (0.43) AURKATPX2ANO1NPC1RAB9A

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
CN-1809554-A 3-substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2006-07-26 CN disclosed