SCHEMBL20179879

SCHEMBL20179879

CN1CC(F)(F)CCC1COCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
PTGIR P43119 1/20 0.30
PTGDR Q13258 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA5 P30532 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL22166905 0.85 IL1B (0.30)
SCHEMBL21191242 0.82 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL17933273 0.77 UGT2B7 (0.31)
SCHEMBL26999943 0.77 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL13929717 0.73 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL20179889 0.73 PTGIR (0.32) PTGIRPTGDRCHRNB2CHRNA5CHRNA7
SCHEMBL17933276 0.72 APLNR (0.32)
SCHEMBL13695531 0.72 CHRNB2 (0.48) CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL21191219 0.71
SCHEMBL26211844 0.71

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-2018090862-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-05-24 WO disclosed