SCHEMBL7652449

SCHEMBL7652449

N#Cc1cc(F)c(N2C(=O)C3=C(CCCC3)C2=O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 4/20 0.42
GRM4 Q14833 4/20 0.42
GRM1 Q13255 1/20 0.42
TRPV4 Q9HBA0 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
SCHEMBL9385035 0.87 GRM7 (0.42) GRM7GRM4GRM1
SCHEMBL9736984 0.84 ALDH1A1 (0.44) GRM7GRM4
SCHEMBL9514262 0.84 GRM7 (0.43) GRM7GRM4GRM1
SCHEMBL9517807 0.83 GRM7 (0.42) GRM7GRM4GRM1
SCHEMBL9514006 0.81 PPOX (0.48) GRM7GRM4GRM1
SCHEMBL7650299 0.80 GRM7 (0.42) GRM7GRM4GRM1
SCHEMBL9870787 0.79 PPOX (0.38) GRM7GRM4GRM1
SCHEMBL9387314 0.78 PPOX (0.52) GRM7GRM4GRM1
SCHEMBL8215400 0.77 BCAT2 (0.42) GRM7GRM4GRM1
SCHEMBL9514181 0.77 GRM7 (0.40) GRM7GRM4GRM1

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
US-6395683-B1 CHEMICAL INTERMEDIATE FOR HERBICIDES; APPLYING TO PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-28 US disclosed
EP-0757673-B1 HETEROCYCLYLBENZONITRILES BAYER AG (DE) 2001-10-04 EP disclosed
US-5858925-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-12 US disclosed