SCHEMBL5740751

SCHEMBL5740751

Cc1ccc(F)c(-n2nnc(C(C)Sc3nnc(-c4ccncc4)n3C)n2)c1.Cc1cccc(-n2nnc(CN(C)c3nnc(-c4ccncc4)n3C)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 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
SCHEMBL2898010 0.83 SMN1; SMN2 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2893049 0.83 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2893427 0.81 ALDH1A1 (0.37) GRM5MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2889757 0.81 GRM5 (0.46) GRM5MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5485045 0.78 DRD2 (0.34) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL2893150 0.76 LMNA (0.40) GRM5MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2895763 0.75 MAPK1 (0.43) GRM5MEN1KMT2AALDH1A1MAPK1
SCHEMBL2892844 0.75 GRM5 (0.34) GRM5MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5752463 0.75 GRM5 (0.53) GRM5MEN1KMT2AALDH1A1MAPT
SCHEMBL2897747 0.74 SMN1; SMN2 (0.32) GRM5MEN1KMT2ASMN1; SMN2

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