SCHEMBL3977391

SCHEMBL3977391

CCCCCn1nc(C#CC(C)(C)O)c(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.44
▸ CNR1 P21554 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC9A1 P19634 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MPO P05164 1/20 0.38

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
SCHEMBL3976338 0.91 CNR2 (0.45) CNR2CNR1KDM4EPDE4APDE4B
SCHEMBL3978510 0.88 CNR2 (0.44) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL3976822 0.83 ALDH1A1 (0.38) CNR2CNR1KDM4ESLC9A1
SCHEMBL13886068 0.80 CNR2 (0.48) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL13885626 0.78 NPC1 (0.53) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL13885733 0.76 CNR2 (0.51) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL9342889 0.74 CNR2 (0.58) CNR2CNR1KDM4EPDE4APDE4B
SCHEMBL3976415 0.74 ALDH1A1 (0.36) CNR2CNR1KDM4EHPGDHTT
SCHEMBL4404025 0.74 CNR2 (0.45) CNR2CNR1KDM4EPDE4APDE4B
SCHEMBL3978568 0.73 CNR2 (0.44) CNR2CNR1KDM4EPDE4APDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 — — WO claimed
WO-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 — — WO disclosed
WO-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 — — WO disclosed
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