SCHEMBL5751341

SCHEMBL5751341

CC(c1nnn(-c2cccc(C#N)c2)n1)N(C)c1nnc(-c2ccncc2)n1C.N#Cc1cccc(-n2nnc(CN3CCCn4c(-c5ccncc5)nnc43)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA4 P43681 1/20 0.34
GRM5 P41594 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 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
SCHEMBL2889840 0.86 CHRNB2 (0.44) CHRNB2CHRNA5CHRNA4GRM5ALDH1A1
SCHEMBL2890137 0.86 CHRNB2 (0.44) CHRNB2CHRNA5CHRNA4GRM5PSEN1
SCHEMBL2889873 0.85 CHRNB2 (0.44) CHRNB2CHRNA5CHRNA4GRM5PSEN1
SCHEMBL2891576 0.77 CHRNB2 (0.43) CHRNB2CHRNA5CHRNA4GRM5PSEN1
SCHEMBL2896306 0.76 PSEN1 (0.43) CHRNB2CHRNA5CHRNA4GRM5PSEN1
SCHEMBL2897493 0.76 CHRNB2 (0.45) CHRNB2CHRNA5CHRNA4GRM5ALDH1A1
SCHEMBL2889468 0.76 GRM5 (0.45) GRM5ALDH1A1
SCHEMBL5823300 0.75 CHRNB2 (0.43) CHRNB2CHRNA5CHRNA4GRM5ALDH1A1
SCHEMBL2889466 0.75 CHRNB2 (0.43) CHRNB2CHRNA5CHRNA4GRM5ALDH1A1
SCHEMBL2893245 0.75 ALDH1A1 (0.36) GRM5PSEN1PSEN2APH1BNCSTN

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