SCHEMBL7795321

SCHEMBL7795321

C=CCC(=O)Oc1ccc(C(O)C(F)(F)F)c(-c2ncccn2)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
HCRTR2 O43614 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
SCHEMBL7863555 0.85 HTT (0.35) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7795329 0.79 NTRK1 (0.35) HCRTR2
SCHEMBL7794838 0.77 SNCA (0.42) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7785307 0.76 GABRA1 (0.41) HTT
SCHEMBL7793925 0.72 PRKCA (0.32) HTT
SCHEMBL7856801 0.68 HCRTR1 (0.34) HCRTR2
SCHEMBL7856827 0.67 LMNA (0.45) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7863558 0.66 USP1 (0.34) HTT
SCHEMBL7785295 0.66 CYP3A4 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4HCRTR2
SCHEMBL23544535 0.65 THRB (0.40) HTT

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
EP-0435632-B1 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL CO (JP) 2001-11-28 EP disclosed
EP-1067122-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
US-5723610-A Alcohol reactants for forming phenylpyrimidine derivatives and process for preparing said alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5539115-A FERROELECTRIC CRYSTALS FOR OPTICAL APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-23 US disclosed
EP-0435632-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed