SCHEMBL6403634

SCHEMBL6403634

Cc1cn(C(=O)CN(CCN)CC(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.35
TYMP P19971 1/20 0.35
HPGD P15428 1/20 0.35
SQOR Q9Y6N5 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL13417629 0.80 TYMP (0.44) TK1TYMPHPGDMAPK1
SCHEMBL7535825 0.75 TK1 (0.35) TK1TYMPHPGDSQORMAPK1
SCHEMBL15538150 0.70 HPGD (0.45) TK1TYMPHPGDMAPK1
SCHEMBL6713750 0.70 MAPK1 (0.42) TK1TYMPHPGDMAPK1
SCHEMBL7761597 0.68 HPGD (0.41) TK1TYMPHPGDMAPK1
SCHEMBL10950422 0.68 MAPK1 (0.43) TK1TYMPHPGDMAPK1
SCHEMBL309658 0.67 TDP1 (0.68)
SCHEMBL12380902 0.67 GRIA1 (0.39) TK1TYMPHPGDSQORMAPK1
SCHEMBL16297679 0.67 MAPK1 (0.40) TK1TYMPHPGDMAPK1
SCHEMBL14542978 0.67 MAPK1 (0.40) TK1TYMPHPGDMAPK1

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
US-6903074-B1 Neuromedin b and somatostatin receptor agonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2005-06-07 US disclosed