SCHEMBL256077

SCHEMBL256077

CCc1ccc(C#Cc2ccccc2F)o1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
G6PC1 P35575 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
SCHEMBL256086 0.82 KCNH2 (0.44) GRM5PRSS1PRSS2PRSS3PTGDR2
SCHEMBL8350133 0.80 PTGDR2 (0.35) GRM5PRSS1PRSS2PRSS3PTGDR2
SCHEMBL9967683 0.75 GRM5 (0.39) GRM5PRSS1PRSS2PRSS3PTGDR2
SCHEMBL2109413 0.75 GRM5 (0.39) GRM5PRSS1PRSS2PRSS3PTGDR2
SCHEMBL6810736 0.72 ALDH1A1 (0.48) GRM5PRSS1PRSS2PRSS3PTGDR2
SCHEMBL29251289 0.72 GRM5 (0.52) GRM5PTGDR2TRPV3
SCHEMBL2109417 0.71 ALDH1A1 (0.37) GRM5PRSS1PRSS2PRSS3PTGDR2
SCHEMBL8278416 0.70 PRSS1 (0.45) GRM5PRSS1PRSS2PRSS3PTGDR2
Charcoal, Activated SCHEMBL31286314 0.70 GRM5 (0.50) GRM5PTGDR2TRPV3
Fluoride SCHEMBL31286347 0.70 GRM5 (0.50) GRM5PTGDR2TRPV3

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-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed