SCHEMBL2802829

SCHEMBL2802829

CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N([N+]=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 3/20 0.41
NMUR1 Q9HB89 3/20 0.41
NPY1R P25929 2/20 0.41
EPHA2 P29317 2/20 0.41
NTSR2 O95665 2/20 0.40
NTSR1 P30989 2/20 0.40
SORT1 Q99523 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
OPRM1 P35372 6/20 0.40
OPRK1 P41145 6/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL29959591 0.85 XIAP (0.49) NMUR2NMUR1NPY1RNTSR2NTSR1
SCHEMBL7874280 0.84 EPHA2 (0.43) NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL10701287 0.81 XIAP (0.46) NMUR2NMUR1NPY1RNTSR2NTSR1
SCHEMBL10653187 0.80 GRB2 (0.43) NPY1RNTSR2NTSR1SORT1DPP8
SCHEMBL10653313 0.80 GRB2 (0.43) NPY1RNTSR2NTSR1SORT1DPP8
SCHEMBL5597236 0.79 DPP4 (0.40) NMUR2NMUR1EPHA2
SCHEMBL9668394 0.79 DPP4 (0.41) NPY1RNTSR2NTSR1SORT1DPP8
SCHEMBL29391363 0.78 GRB2 (0.55) NMUR2NMUR1EPHA2NTSR2NTSR1
SCHEMBL30285014 0.77 MAPK8 (0.58) NMUR2NMUR1NPY1REPHA2NTSR2
SCHEMBL29978208 0.77 MAPK8 (0.50) NMUR2NMUR1NPY1RNTSR2NTSR1

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
EP-1282693-B1 HUMAN COAGULATION FACTOR VII VARIANTS NOVO NORDISK HEALTHCARE AG (CH) 2010-10-20 EP disclosed