SCHEMBL8764436

SCHEMBL8764436

CCOC(=O)[C@H]1[C@@H]2C[C@@H](Cc3ccc(F)c(C)c3)[C@](C#N)(C(=O)CN)[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.38
GRM3 Q14832 3/20 0.38
ALDH1A1 P00352 2/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KCNN4 O15554 1/20 0.30

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
SCHEMBL8764066 0.91 GRM2 (0.49) GRM2GRM3ALDH1A1CA12CA1
SCHEMBL8763799 0.91 GRM2 (0.49) GRM2GRM3ALDH1A1CA12CA1
SCHEMBL8892415 0.89 PPARG (0.34) GRM2GRM3ALDH1A1KDM4ESLC6A3
SCHEMBL8891460 0.88 MAPT (0.34) GRM2GRM3ALDH1A1SLC6A2SLC6A4
SCHEMBL8891587 0.87 MEN1 (0.36) GRM2GRM3ALDH1A1TSHRMAPT
SCHEMBL8474292 0.85 MAPK8 (0.33) GRM2GRM3ALDH1A1CA12CA1
SCHEMBL8892810 0.76 GRM2 (0.33) GRM2GRM3SLC6A2SLC6A4SLC6A3
SCHEMBL8892402 0.76 GRM2 (0.33) GRM2GRM3SLC6A2SLC6A4SLC6A3
SCHEMBL8762788 0.69 GRM2 (0.33) GRM2GRM3SLC6A2SLC6A4SLC6A3
SCHEMBL8902155 0.68 GRM2 (0.34) GRM2GRM3ALDH1A1TSHR

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