SCHEMBL5742347

SCHEMBL5742347

Cc1ccc(F)c(-n2nnc(CCSc3nnc(-c4ccncc4)n3C3CC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
CYP3A4 P08684 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
PTK2 Q05397 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 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
SCHEMBL2891581 0.91 CYP3A4 (0.47) GAACYP3A4RXFP1CTDSP1TDP1
SCHEMBL5741042 0.86 MAPT (0.51) GAARXFP1TSHRKMT2AMEN1
SCHEMBL2895250 0.82 CYP3A4 (0.51) GAACYP3A4RXFP1CTDSP1TDP1
SCHEMBL2889410 0.81 RXRA (0.36) GAACYP3A4RXFP1KMT2AMEN1
SCHEMBL2893164 0.80 GAA (0.36) GAACYP3A4RXFP1CTDSP1TDP1
SCHEMBL5739438 0.78 MAPT (0.53) GAAL3MBTL1TSHRKMT2AMEN1
SCHEMBL2895597 0.75 CYP3A4 (0.49) GAACYP3A4RXFP1CTDSP1TDP1
SCHEMBL5739564 0.74 CYP3A4 (0.42) GAACYP3A4RXFP1CTDSP1TDP1
SCHEMBL2893476 0.73 GRM5 (0.37)
SCHEMBL2898035 0.72 CYP3A4 (0.37) GAACYP3A4RXFP1CTDSP1TDP1

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