SCHEMBL5754968

SCHEMBL5754968

CC(Oc1nnc(-c2ccncc2)n1C)c1nnn(-c2cccc(Cl)c2)n1.Clc1cccc(-n2nnc(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.58
KCNH2 Q12809 2/20 0.51
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
TACR1 P25103 1/20 0.34
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
PKM P14618 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
SCHEMBL5754962 1.00 GRM5 (0.58) GRM5KCNH2ALDH1A1MEN1KMT2A
SCHEMBL2895291 0.88 GRM5 (0.73) GRM5KCNH2ALDH1A1MEN1KMT2A
SCHEMBL2895294 0.88 GRM5 (0.73) GRM5KCNH2ALDH1A1MEN1KMT2A
SCHEMBL2895780 0.88 GRM5 (0.73) GRM5KCNH2ALDH1A1MEN1KMT2A
SCHEMBL2895459 0.79 GRM5 (0.57) GRM5KCNH2ALDH1A1MEN1KMT2A
SCHEMBL2891488 0.79 GRM5 (0.69) GRM5KCNH2ALDH1A1MEN1KMT2A
SCHEMBL5482911 0.79 GRM5 (0.71) GRM5KCNH2MAPT
SCHEMBL2895056 0.79 GRM5 (0.71) GRM5KCNH2MAPT
SCHEMBL4167366 0.79 GRM5 (0.71) GRM5KCNH2PKM
SCHEMBL2889471 0.77 ALDH1A1 (0.48) GRM5KCNH2ALDH1A1MEN1KMT2A

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