SCHEMBL5751791

SCHEMBL5751791

Cc1cccc(-n2nnc(C=Cc3ccccc3)n2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
TTR P02766 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
NFE2L2 Q16236 3/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
GRM4 Q14833 2/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.34
GRM5 P41594 2/20 0.34

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
SCHEMBL2895652 0.78 NFE2L2 (0.38) RXRAGRIN1GRIN2BPTGS1PTGS2
SCHEMBL2895653 0.78 NFE2L2 (0.38) RXRAGRIN1GRIN2BPTGS1PTGS2
SCHEMBL2889986 0.74 NFE2L2 (0.37) PTGS2CASP3SENP8SENP7SENP6
SCHEMBL2897293 0.73 GRM5 (0.46) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL2897290 0.73 GRM5 (0.46) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL2889795 0.68 GRM5 (0.46) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL2897163 0.68 APP (0.39) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL2889796 0.68 GRM5 (0.46) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL7086147 0.67 NFE2L2 (0.57) TTRALOX5PTGS1PTGS2NFE2L2
SCHEMBL2895892 0.65 GRM5 (0.53) ALDH1A1KDM4ETSHRGRM5MAPT

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-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed