SCHEMBL9017301

SCHEMBL9017301

CN=C(NCCCCCCCCNC(=O)COC(=O)NCCCCN(CCCNC)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.43
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
FAAH O00519 1/20 0.31
DRD2 P14416 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL9407458 1.00 CA14 (0.43) CA14TDP1MAOAMAOBCA1
SCHEMBL9017308 0.87 CA14 (0.43) CA14TDP1MAOAMAOBCA1
SCHEMBL9017328 0.87 CA14 (0.43) CA14TDP1MAOAMAOBCA1
SCHEMBL9179975 0.87 CA14 (0.45) CA14TDP1MAOAMAOBCA1
SCHEMBL9178714 0.87 CA14 (0.45) CA14TDP1MAOAMAOBCA1
SCHEMBL9017298 0.82 CA14 (0.46) CA14TDP1MAOAMAOBCA1
SCHEMBL15065091 0.79 CA14 (0.62) CA14TDP1MAOAMAOBCA1
SCHEMBL9175615 0.78 CA14 (0.48) CA14TDP1MAOAMAOBCA1
SCHEMBL9176068 0.78 CA14 (0.48) CA14TDP1MAOAMAOBCA1
SCHEMBL9176057 0.78 CA14 (0.48) CA14TDP1MAOAMAOBCA1

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-0600762-B1 Analogues of the 15-deoxyspergualine, process for their preparation and their use as immunosuppresants FOURNIER IND & SANTE (FR) 1996-07-10 EP disclosed
EP-0600762-A1 Analogues of the 15-deoxyspergualine, process for their preparation and their use as immunosuppresants FOURNIER INDUSTRIE ET SANTE (FR) 1994-06-08 EP disclosed