SCHEMBL5754386

SCHEMBL5754386

CC(Sc1nnc(-c2ccncc2)n1C1CC1)c1nnn(-c2cccc(Cl)c2)n1.CCOC(=O)N1CCN(C(C)c2nnn(-c3cccc(Cl)c3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
GRM5 P41594 2/20 0.36
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
TACR1 P25103 1/20 0.34
RGS12 O14924 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 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
SCHEMBL2897581 0.86 MAPK1 (0.40) MAPK1ALPLALPIGRM5RXFP1
SCHEMBL2889444 0.82 GRM5 (0.45) MAPK1NOS1NOS2GRM5KDM4E
SCHEMBL2889474 0.82 GRM5 (0.45) MAPK1NOS1NOS2GRM5KDM4E
SCHEMBL2889476 0.82 GRM5 (0.45) MAPK1NOS1NOS2GRM5KDM4E
SCHEMBL2893692 0.79 ALPL (0.41) ALPLALPIGRM5RXFP1KDM4E
SCHEMBL2895698 0.75 CHRNB2 (0.41) ALPLALPIGRM5RXFP1TDP1
SCHEMBL5753191 0.74 CYP3A4 (0.43) ALPLALPIGRM5RXFP1TDP1
SCHEMBL2898035 0.73 CYP3A4 (0.37) ALPLALPIRXFP1TDP1GAA
SCHEMBL5479679 0.73 MAPK1 (0.40) MAPK1ALPLALPIRXFP1TDP1
SCHEMBL2893681 0.72 GRM5 (0.56) MAPK1GRM5KCNH2

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