SCHEMBL4427953

SCHEMBL4427953

COc1cccc(Cl)c1C1C(=O)NC(C)(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HTT P42858 1/20 0.36
CACNG8 Q8WXS5 2/20 0.36
GRIA1 P42261 1/20 0.36
PDE7A Q13946 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNG1 Q06432 1/20 0.35
CACNB2 Q08289 1/20 0.35

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
SCHEMBL7000246 0.84 HSD11B1 (0.36) HCRTR1HCRTR2ALDH1A1POLBCA12
SCHEMBL4428134 0.84 CRHBP (0.37) CRHBPCRHR2HTTCACNG8GRIA1
SCHEMBL15001062 0.74 CRHBP (0.43) CRHBPCRHR2CACNG8GRIA1HCRTR1
SCHEMBL1153528 0.74 GSK3B (0.37) ALDH1A1POLB
SCHEMBL342154 0.74 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL15001063 0.73 CRHBP (0.45) CRHBPCRHR2HCRTR1HCRTR2DRD1
SCHEMBL11228395 0.73 CRHBP (0.38) CRHBPCRHR2PDE7AHCRTR1HCRTR2
SCHEMBL3640338 0.72 GSK3B (0.39) ALDH1A1
SCHEMBL11224539 0.71 CRHBP (0.43) CRHBPCRHR2HCRTR1HCRTR2
SCHEMBL10500029 0.70 CA2 (0.53) CRHBPCRHR2CACNG8GRIA1CACNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741700-B1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2009-10-07 EP disclosed
EP-0741700-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-11-13 EP disclosed
WO-1995020572-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-08-03 WO disclosed