SCHEMBL23399894

SCHEMBL23399894

CCn1nc(C(C)(C)C)c(C)c1O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
ADORA2B P29275 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
SCHEMBL23399267 0.85 ADORA2A (0.33) ADORA2AADORA2B
SCHEMBL5369504 0.82 KDM4E (0.36) ADORA2AADORA2B
SCHEMBL23401528 0.82 NR1H3 (0.36)
SCHEMBL23401316 0.80
SCHEMBL23401866 0.79 SMN1; SMN2 (0.33)
SCHEMBL21720246 0.79 ADORA2A (0.34) ADORA2AADORA2B
SCHEMBL11506259 0.78
SCHEMBL23401912 0.77 NPC1 (0.33)
SCHEMBL23399570 0.76 LMNA (0.34)
SCHEMBL21721681 0.76 ADORA2A (0.32) ADORA2AADORA2B

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