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SCHEMBL13949219

SCHEMBL13949219

CCc1cccc(CC)c1-c1nc(C)c(COc2cc(C(C)C)ccc2C)c(N(C)[C@H](C(=O)O)C(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 9/20 0.39
▸ BCHE P06276 8/20 0.39
▸ SLC22A12 Q96S37 1/20 0.34
▸ TYR P14679 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL72302 1.00 ACHE (0.39) ACHEBCHESLC22A12TYRKEAP1
SCHEMBL62621 0.86 ACHE (0.40) ACHEBCHESLC22A12TYRL3MBTL1
SCHEMBL62344 0.84 ACHE (0.43) ACHEBCHETYRL3MBTL1
SCHEMBL61865 0.81 BCHE (0.39) ACHEBCHESLC22A12TYRKEAP1
SCHEMBL13949214 0.81 BCHE (0.39) ACHEBCHESLC22A12TYRKEAP1
SCHEMBL62506 0.79 ACHE (0.39) ACHEBCHETYRL3MBTL1
SCHEMBL61723 0.79 ACHE (0.39) ACHEBCHE
SCHEMBL61719 0.78 ACHE (0.37) ACHEBCHEL3MBTL1
SCHEMBL62177 0.76 BCHE (0.37) ACHEBCHETYRL3MBTL1
SCHEMBL1328288 0.75 C5AR1 (0.42) ACHEBCHEL3MBTL1

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
US-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 — — US disclosed
US-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 — — US disclosed