SCHEMBL9764699

SCHEMBL9764699

Cn1c(C(F)(F)F)c(-c2ccc(Cl)c(C(=O)O[C@@]3(C(=O)O)CCCN3)c2)c(=O)[nH]c1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRIK3 Q13003 1/20 0.32

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
SCHEMBL9359135 0.79 GRIK1 (0.50) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6672249 0.71 SCN9A (0.41)
SCHEMBL5174653 0.71 GSK3A (0.36)
SCHEMBL6545351 0.67 THRA (0.32) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6219513 0.63 GRIK1 (0.33) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6217982 0.61 LMNA (0.31)
SCHEMBL9354701 0.59 HPGD (0.35)
SCHEMBL8908156 0.59 BCAT2 (0.43)
SCHEMBL8301246 0.59 PTGS1 (0.41)
SCHEMBL27897618 0.58 LMNA (0.41)

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-0436680-A1 HETEROCYCLIC COMPOUNDS. CIBA GEIGY AG (CH) 1991-07-17 EP disclosed