SCHEMBL29829544

SCHEMBL29829544

COc1cccc2c1nc(-c1ccccc1C)n2CCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.49
▸ PDE10A Q9Y233 3/20 0.47
▸ PDE2A O00408 2/20 0.47
▸ PDE6D O43924 1/20 0.47
▸ PDE6A P16499 1/20 0.47
▸ PDE6G P18545 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE6B P35913 1/20 0.47
▸ PDE6C P51160 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ PDE6H Q13956 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.47
▸ TP53 P04637 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL29829591 0.87 CASR (0.60) CASRPDE6DTLR8TP53SIGMAR1
SCHEMBL29829518 0.84 CASR (0.60) CASRPDE4APDE4BPDE4CPDE4D
SCHEMBL29829974 0.83 CASR (0.53) CASRPDE4APDE4BPDE4CPDE4D
SCHEMBL29829696 0.81 TLR8 (0.51) CASRPDE10ATLR8SIGMAR1LMNA
SCHEMBL29412030 0.79 CASR (0.47) CASRMEN1KMT2A
SCHEMBL28903065 0.79 CASR (0.47) CASRMEN1KMT2A
SCHEMBL29829733 0.77 TLR8 (0.48) CASRPDE6DPDE4BTLR8TP53
SCHEMBL29411941 0.76 BRD4 (0.52) TP53SIGMAR1KDM4ELMNAHTT
SCHEMBL29829962 0.74 TLR8 (0.45) CASRTLR8TP53KDM4ENPY1R
SCHEMBL28901986 0.72 MEN1 (0.58) CASRPDE6DKDM4ELMNANPSR1

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
CN-111978301-B Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2022-08-02 — — CN disclosed
Send feedback