SCHEMBL8565366

SCHEMBL8565366

CC[C@H](N)CNCCCCOC(=O)NCNC(=O)CCCCCCNC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.39
EPHX2 P34913 2/20 0.37
CASP2 P42575 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
NPY4R P50391 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL8565358 0.84 ACHE (0.36) ACHEEPHX2NPY1RNPY2RNPY4R
SCHEMBL13399998 0.72 ALOX15 (0.44) EPHX2CASP2
SCHEMBL20542788 0.71 ACHE (0.70) ACHEEPHX2
Hydrochloric Acid SCHEMBL20542698 0.70 ACHE (0.68) ACHEEPHX2
SCHEMBL17754031 0.67 ACHE (0.45) ACHEEPHX2
SCHEMBL8412131 0.67 ACHE (0.40) ACHEEPHX2
SCHEMBL24087524 0.67 CASP2 (0.65) EPHX2CASP2L3MBTL1
SCHEMBL20543068 0.67 CASP2 (0.65) EPHX2CASP2L3MBTL1
SCHEMBL21842282 0.67 CASP2 (0.65) EPHX2CASP2L3MBTL1
SCHEMBL20542925 0.67 CASP2 (0.65) EPHX2CASP2L3MBTL1

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-0743300-B1 15-Deoxyspergualine-related compounds, process for their preparation and their application in therapy FOURNIER IND & SANTE (FR) 1999-08-04 EP disclosed
EP-0743300-A1 15-Deoxyspergualine-related compounds, process for their preparation and their application in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1996-11-20 EP disclosed