SCHEMBL6159927

SCHEMBL6159927

CCCCCCCC(=O)NC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.33
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL6160798 1.00 GSK3B (0.33) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL6162039 1.00 GSK3B (0.33) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL6159786 1.00 GSK3B (0.33) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL6162169 0.90 HPGD (0.33) GSK3B
SCHEMBL8009850 0.90 HPGD (0.33) GSK3B
SCHEMBL6166944 0.90 HPGD (0.33) GSK3B
SCHEMBL6161220 0.90 HPGD (0.33) GSK3B
SCHEMBL6168625 0.90 HPGD (0.33) GSK3B
SCHEMBL6162355 0.90 HPGD (0.33) GSK3B
SCHEMBL6161087 0.88 P2RX7 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed