SCHEMBL6493867

SCHEMBL6493867

O=C(O)C1CC2CC(COCc3nnn[nH]3)CC[C@H]2CN1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.53
GRIA2 P42262 2/20 0.53
GRIA3 P42263 2/20 0.53
GRIA4 P48058 2/20 0.53
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIK1 P39086 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL13319977 1.00 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL1807296 1.00 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL1811917 1.00 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL3182737 1.00 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8252920 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL2783303 0.85 GRIA2 (0.64) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL20553364 0.85 GRIA2 (0.64) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8867563 0.85 GRIA2 (0.64) GRIA1GRIA2GRIA3GRIA4GRIN2D
Tezampanel Anhydrous SCHEMBL3688366 0.83 GRIA1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIN2D
Tezampanel Anhydrous SCHEMBL3227089 0.83 GRIA1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIN2D

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-6242462-B1 NOVEL DECAHYDROISOQUINOLINE DERIVATIVES WHICH ARE SELECTIVE GLUR5 RECEPTOR ANTAGONISTS. ELI LILLY AND COMPANY 2001-06-05 US claimed
US-6855823-B2 Selective iGluR5 receptor antagonists ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed