SCHEMBL9514006

SCHEMBL9514006

CC(C)Oc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.48
GRM1 Q13255 1/20 0.39
GRM7 Q14831 1/20 0.39
GRM4 Q14833 1/20 0.39
P2RX3 P56373 1/20 0.36

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
SCHEMBL9513989 0.86 PPOX (0.37) PPOXP2RX3
SCHEMBL9513998 0.85 PPOX (0.37) PPOXP2RX3
SCHEMBL7891230 0.84 PPOX (0.45) PPOXGRM1GRM7GRM4
SCHEMBL10513071 0.83 PPOX (0.52) PPOXGRM1GRM7GRM4
SCHEMBL7891045 0.81 PPOX (0.51) PPOXGRM1GRM7GRM4
SCHEMBL8084286 0.81 PPOX (0.69) PPOX
SCHEMBL7652449 0.81 GRM7 (0.42) GRM1GRM7GRM4
SCHEMBL9514181 0.80 GRM7 (0.40) GRM1GRM7GRM4
SCHEMBL9513988 0.79 BCAT2 (0.36) PPOXP2RX3
SCHEMBL9387865 0.79 PPOX (0.41) PPOXGRM1GRM7GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303573-B1 PYRROLIDINE-2,5 DIONES AND 4,5,6,7-TETRAHYDROISO-INDOLE-1,3 DIONES CIBA-GEIGY AG (CH) 1993-06-09 EP claimed
US-4919704-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1990-04-24 US claimed
EP-0303573-B1 PYRROLIDINE-2,5 DIONES AND 4,5,6,7-TETRAHYDROISO-INDOLE-1,3 DIONES CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
US-4919704-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1990-04-24 US disclosed