SCHEMBL6665766

SCHEMBL6665766

[CH2]CCc1n[nH]c2cccc(Cc3c(Cl)cccc3Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
AR P10275 3/20 0.41
MAP2K4 P45985 5/20 0.36
GPR84 Q9NQS5 1/20 0.35
TAAR1 Q96RJ0 3/20 0.33
TTK P33981 3/20 0.33
ADRA2A P08913 1/20 0.32
RARG P13631 1/20 0.31
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL6193562 0.73 GAA (0.41) GAAARMAP2K4GPR84TAAR1
SCHEMBL21257995 0.69 AR (0.68) GAAARTAAR1TTKRARG
SCHEMBL27950786 0.69 GAA (0.53) GAAARMAP2K4GPR84TTK
SCHEMBL4562116 0.65 GAA (0.56) GAAARMAP2K4GPR84TTK
SCHEMBL4310117 0.65 GAA (0.51) GAAARMAP2K4GPR84TTK
SCHEMBL730150 0.65 KDM4E (0.48) GAATTK
SCHEMBL3757326 0.64 TAAR1 (0.58) GAATAAR1ADRA2A
SCHEMBL7744409 0.64 ALDH1A1 (0.41)
SCHEMBL5745178 0.64 TAAR1 (0.37) GAAARMAP2K4GPR84TAAR1
SCHEMBL2899661 0.63 KDM4E (0.38) GAAARMAP2K4TTK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014921-A1 5,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014354-A1 1,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014365-A1 PHTHALIMIDE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014378-A1 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed