SCHEMBL13713255

SCHEMBL13713255

O=C1c2ccccc2C(=O)N1CCc1cc(Cl)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 13/20 0.56
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13712796 0.80 GRM5 (0.45) GRM5CA2CA9MAPTHTT
SCHEMBL14262899 0.77 CA2 (0.44) GRM5CA2CA9MAPT
SCHEMBL5000599 0.74 ALOX15 (0.50) GRM5MAPTHSD17B10
SCHEMBL4077057 0.72 GRM5 (0.69) GRM5
SCHEMBL6714259 0.71 ACHE (0.49) GRM5MAPTHTTSMN1; SMN2
SCHEMBL12820475 0.71 MAPT (0.45) GRM5MAPTHTT
SCHEMBL28091743 0.68 PDK1 (0.69) MAPT
SCHEMBL4069253 0.68 GRM5 (1.00) GRM5
SCHEMBL30255585 0.68 GRM5 (1.00) GRM5CA9
SCHEMBL30879625 0.68 GRM5 (1.00) GRM5CA9

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
US-7582771-B2 Process for the synthesis of cPLA2 inhibitors WYETH (US) 2009-09-01 — — US disclosed
Send feedback