SCHEMBL7454776

SCHEMBL7454776

CCOCc1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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
SCHEMBL7461644 0.95 MCHR1 (0.32) MCHR1
SCHEMBL7455795 0.95 MCHR1 (0.30) MCHR1
SCHEMBL7465593 0.92
SCHEMBL7459106 0.91 MCHR1 (0.31) MCHR1
SCHEMBL7457982 0.90 MCHR1 (0.30) MCHR1
SCHEMBL7457878 0.89
SCHEMBL7459504 0.89
SCHEMBL7463061 0.89 ALDH1A1 (0.32)
SCHEMBL7461286 0.89 TACR1 (0.34)
SCHEMBL7454725 0.89

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-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 EP disclosed