SCHEMBL8778919

SCHEMBL8778919

C[C@H](N)CCNCCCCNC(=O)OCC(=O)NCCCCCCNC=NN

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ACHE P22303 6/20 0.30
EPHX2 P34913 2/20 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
SCHEMBL8778931 1.00 FAAH (0.36) FAAHMAOAMAOBACHEEPHX2
SCHEMBL8778905 1.00 FAAH (0.36) FAAHMAOAMAOBACHEEPHX2
Trifluoroacetic Acid SCHEMBL8778897 0.93 S1PR1 (0.35) FAAH
Trifluoroacetic Acid SCHEMBL8923136 0.93 S1PR1 (0.35) FAAH
Trifluoroacetic Acid SCHEMBL8778926 0.93 S1PR1 (0.35) FAAH
SCHEMBL526030 0.87 HDAC3 (0.33)
SCHEMBL8779144 0.87 HDAC3 (0.33)
SCHEMBL8778900 0.87 HDAC3 (0.33)
SCHEMBL8412008 0.86 EPHX2 (0.37) ACHEEPHX2
SCHEMBL9017329 0.85 FAAH (0.37) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669316-B1 Analogs of 15-deoxyspergualine, process for their preparation and their use as immunosuppressive agents FOURNIER IND & SANTE (FR) 1997-07-30 EP disclosed
EP-0669316-A1 Analogs of 15-déoxyspergualine, process for their preparation and their use as immunosuppressive agents FOURNIER INDUSTRIE ET SANTE (FR) 1995-08-30 EP disclosed