SCHEMBL8764589

SCHEMBL8764589

COc1ccc(CC2CC3C(C(=O)O)C3C2(N)C(=O)O)cc1F

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.69
GRM3 Q14832 7/20 0.69
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL8763631 0.88 GRM2 (0.61) GRM2GRM3CA1CA2CA9
SCHEMBL8764439 0.87 GRM2 (0.81) GRM2GRM3GRM8GRM4
SCHEMBL8764566 0.84 GRM2 (0.77) GRM2GRM3GRM8GRM4
SCHEMBL8891537 0.84 GRM2 (0.77) GRM2GRM3GRM8GRM4
SCHEMBL8763970 0.84 GRM2 (0.77) GRM2GRM3GRM8GRM4
SCHEMBL8763480 0.82 GRM2 (0.61) GRM2GRM3GRM8GRM4LMNA
SCHEMBL8764708 0.82 GRM2 (1.00) GRM2GRM3GRM8GRM4
SCHEMBL8764032 0.82 GRM2 (1.00) GRM2GRM3GRM8GRM4
SCHEMBL8764687 0.81 GRM2 (0.71) GRM2GRM3GRM8GRM4
SCHEMBL8763907 0.79 GRM2 (0.69) GRM2GRM3GRM8GRM4

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
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed