SCHEMBL23401272

SCHEMBL23401272

CCc1c(N)c(=O)n(C2CCCCC2)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
BCHE P06276 1/20 0.38
PTGS2 P35354 1/20 0.38
OPRL1 P41146 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
GRM1 Q13255 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL23399419 0.99 PDE4A (0.40) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL23402467 0.82 BCHE (0.51) CNR2BCHEPTGS2NPSR1GAA
SCHEMBL23401070 0.81 BCHE (0.53) BCHEPTGS2NPSR1GAAALOX15
SCHEMBL23400271 0.80 BCHE (0.39) BCHEPTGS2NPSR1GAAALOX15
SCHEMBL23401301 0.79 CNR1 (0.39) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL23402157 0.78 BCHE (0.40) PDE4APDE4BPDE4CPDE4DBCHE
SCHEMBL23401379 0.78 ALDH1A1 (0.41) CNR1BCHEPTGS2NPSR1GAA
SCHEMBL23400289 0.77 ALDH1A1 (0.40) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL23402352 0.77 BCHE (0.55) CNR2BCHEPTGS2NPSR1GAA
SCHEMBL23400086 0.77 BCHE (0.53) BCHEPTGS2NPSR1GAAALOX15

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