SCHEMBL23399267

SCHEMBL23399267

CCCn1nc(C(C)(C)C)c(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ESR1 P03372 1/20 0.31

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
SCHEMBL23401528 0.89 NR1H3 (0.36) CNR1CNR2ESR1
SCHEMBL23399894 0.85 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL5370184 0.84 KDM4E (0.34) ADORA2AADORA2BESR1
SCHEMBL23403424 0.81 CNR1 (0.33) ADORA2AADORA2BCNR1CNR2
SCHEMBL23400831 0.80 CNR1 (0.32) CNR1CNR2
SCHEMBL23401854 0.80 HPGD (0.33) ADORA2AADORA2BCNR1CNR2
SCHEMBL23398789 0.79 CNR1 (0.31) CNR1CNR2
SCHEMBL23403023 0.78 CNR1 (0.35) ADORA2AADORA2BCNR1CNR2ESR1
SCHEMBL23403708 0.77 CNR1 (0.31) CNR1CNR2
SCHEMBL23401866 0.76 SMN1; SMN2 (0.33)

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