SCHEMBL23399207

SCHEMBL23399207

CCCn1nc(O)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ESR1 P03372 3/20 0.35
GRIA4 P48058 1/20 0.33
HCAR3 P49019 1/20 0.33
LMNA P02545 2/20 0.30
APAF1 O14727 1/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23398463 0.89 CNR1 (0.48) CNR1CNR2ESR1HCAR3LMNA
SCHEMBL23399834 0.85 CNR1 (0.34) CNR1CNR2ADORA2AADORA2BESR1
SCHEMBL14200450 0.82 CNR1 (0.40) CNR1CNR2ADORA2AADORA2BESR1
SCHEMBL23402366 0.79 APAF1 (0.34) CNR1CNR2LMNAAPAF1POLB
SCHEMBL2737348 0.79 ADORA2B (0.42) CNR1CNR2ADORA2AADORA2BLMNA
SCHEMBL9906364 0.75 CNR1 (0.43) CNR1CNR2ADORA2AADORA2BALDH1A1
SCHEMBL23401813 0.75 ADORA2A (0.35) ADORA2AADORA2BESR1GRIA4POLB
SCHEMBL23400742 0.75 ADORA2A (0.44) ADORA2AADORA2BESR1LMNAAPAF1
SCHEMBL99224 0.74 L3MBTL1 (0.32) HCAR3ALDH1A1
SCHEMBL6174844 0.74 CNR1 (0.39) CNR1CNR2ADORA2AADORA2BHCAR3

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