SCHEMBL23399102

SCHEMBL23399102

CCCn1nc(C)c(O)c1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
GRIA4 P48058 1/20 0.34

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
SCHEMBL23401150 0.90 NR1H3 (0.32) ADORA2AADORA2B
SCHEMBL23402145 0.86 ADORA2A (0.35) ADORA2AADORA2BGRIA4
SCHEMBL23402492 0.84 SMN1; SMN2 (0.41)
SCHEMBL23403579 0.83 GRIA4 (0.34) GRIA4
SCHEMBL23402368 0.82 ADORA2A (0.43) ADORA2AADORA2BGRIA4
SCHEMBL23403211 0.82 ADORA2A (0.43) ADORA2AADORA2BGRIA4
SCHEMBL27146107 0.81 GRIA4 (0.33) GRIA4
SCHEMBL23402356 0.81 GRIA4 (0.33) GRIA4
SCHEMBL23403443 0.79 SMN1; SMN2 (0.38) ADORA2AADORA2B
SCHEMBL23398593 0.79 GRIA4 (0.37) ADORA2AADORA2BGRIA4

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed