SCHEMBL9870787

SCHEMBL9870787

C=C1C2=C(CCCC2)C(=O)N1c1cc(O)c(C#N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.38
GRM7 Q14831 4/20 0.37
GRM4 Q14833 4/20 0.37
GRM1 Q13255 1/20 0.37

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 0.91 GRM7 (0.42) PPOXGRM7GRM4GRM1
SCHEMBL10582727 0.81 GRM7 (0.40) PPOXGRM7GRM4
SCHEMBL7652449 0.79 GRM7 (0.42) GRM7GRM4GRM1
SCHEMBL9514262 0.75 GRM7 (0.43) GRM7GRM4GRM1
SCHEMBL9517807 0.74 GRM7 (0.42) GRM7GRM4GRM1
SCHEMBL9736984 0.73 ALDH1A1 (0.44) GRM7GRM4
SCHEMBL8215400 0.71 BCAT2 (0.42) GRM7GRM4GRM1
SCHEMBL7170081 0.71 ESR1 (0.46) GRM7GRM4GRM1
SCHEMBL9845440 0.71 GRM7 (0.41) GRM7GRM4GRM1
SCHEMBL5318631 0.71 GRM7 (0.46) PPOXGRM7GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045108-A Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
EP-0403891-A1 N-Aryl-nitrogen-heterocyclic compounds BAYER AG (DE) 1990-12-27 EP disclosed