SCHEMBL31328352

SCHEMBL31328352

O[C@@H]1CCCC[C@H]1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.62
NPY2R P49146 1/20 0.62
NPY4R P50391 1/20 0.62
NPY5R Q15761 1/20 0.62
EPHX2 P34913 2/20 0.43
EPHX1 P07099 1/20 0.43
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 3/20 0.42
LIPE Q05469 5/20 0.40
ABL1 P00519 2/20 0.40
GRIN2B Q13224 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TRPA1 O75762 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39

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
SCHEMBL31328355 1.00 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5REPHX2
SCHEMBL20022643 0.86 NPY1R (0.73) NPY1RNPY2RNPY4RNPY5RABL1
SCHEMBL1872678 0.77 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RABL1
SCHEMBL1496565 0.77 NPY1R (0.68) NPY1RNPY2RNPY4RNPY5RABL1
SCHEMBL1872677 0.77 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RABL1
SCHEMBL13326286 0.77 NPY1R (0.68) NPY1RNPY2RNPY4RNPY5REPHX2
SCHEMBL1496594 0.77 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RSLC6A4
SCHEMBL1496639 0.77 NPY1R (0.68) NPY1RNPY2RNPY4RNPY5REPHX2
SCHEMBL1496528 0.77 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RABL1
SCHEMBL31328369 0.77 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025007893-A1 SULFITE COMPOUND, PREPARATION METHOD THEREFOR, USE AND COMPOSITION THEREOF, AND METHOD FOR PREVENTING AND TREATING PEST MITES 山东康乔生物科技有限公司 2025-01-09 WO disclosed