SCHEMBL7102304

SCHEMBL7102304

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1Cc2ccccc2CN1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.42
PLG P00747 3/20 0.42
F10 P00742 2/20 0.42
PRSS1 P07477 2/20 0.42
CXCR3 P49682 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NMUR2 Q9GZQ4 1/20 0.41
NMUR1 Q9HB89 1/20 0.41
EPHA2 P29317 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 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
SCHEMBL6429000 0.85 MEN1 (0.53) F2CXCR3MEN1KMT2AOPRD1
SCHEMBL29727784 0.84 BDKRB2 (0.44) F2CXCR3MEN1KMT2AOPRD1
SCHEMBL8837271 0.84 OPRD1 (0.39) F2PLGF10PRSS1EPHA2
SCHEMBL7102702 0.83 F2 (0.60) F2PLGF10PRSS1EPHA2
SCHEMBL7163251 0.82 MAPK8 (0.40) PLGMEN1KMT2AEPHA2
SCHEMBL7163247 0.82 MAPK8 (0.40) PLGMEN1KMT2AEPHA2
SCHEMBL8837269 0.80 F2 (0.45) F2PLGF10PRSS1NMUR2
SCHEMBL2038224 0.80 TRHR (0.47) F2PLGF10PRSS1
SCHEMBL8837276 0.79 F2 (0.49) F2PLGNMUR2NMUR1EPHA2
SCHEMBL7342523 0.78 PLG (0.57) F2PLGF10NMUR2NMUR1

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-0479489-B1 Tripeptide antithrombotic agents LILLY CO ELI (US) 2003-03-19 EP claimed