SCHEMBL31086352

SCHEMBL31086352

CCOC(=O)CC(=O)Cc1cn(-c2ccc(Oc3ncc(Cl)cc3F)c(F)c2)nn1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.44
GRIN1 Q05586 19/20 0.44
GRIN2B Q13224 19/20 0.44

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
SCHEMBL29255165 1.00 RXRA (0.44) RXRAGRIN1GRIN2B
SCHEMBL31086398 0.91 RXRA (0.42) RXRAGRIN1GRIN2B
SCHEMBL29255018 0.91 RXRA (0.42) RXRAGRIN1GRIN2B
SCHEMBL29255164 0.86 RXRA (0.47) RXRAGRIN1GRIN2B
SCHEMBL31086639 0.86 RXRA (0.47) RXRAGRIN1GRIN2B
SCHEMBL29255127 0.85 DRD2 (0.39) GRIN2B
SCHEMBL31086242 0.85 DRD2 (0.39) GRIN2B
SCHEMBL29254827 0.85 RXRA (0.42) RXRAGRIN1GRIN2B
SCHEMBL31086356 0.85 RXRA (0.42) RXRAGRIN1GRIN2B
SCHEMBL31086301 0.84 RXRA (0.39) RXRAGRIN1GRIN2B

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
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed