SCHEMBL7102702

SCHEMBL7102702

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1NCCc2ccccc21)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.60
PLG P00747 3/20 0.60
F10 P00742 2/20 0.60
PRSS1 P07477 2/20 0.60
EPHA2 P29317 1/20 0.39
BDKRB2 P30411 1/20 0.38
DPP4 P27487 2/20 0.37
OPRD1 P41143 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL27414923 0.88 F2 (0.59) F2PLGF10PRSS1TSHR
Sulfuric Acid SCHEMBL7107439 0.86 F2 (0.73) F2PLGF10PRSS1
SCHEMBL8837269 0.85 F2 (0.45) F2PLGF10PRSS1EPHA2
SCHEMBL7102304 0.83 F2 (0.42) F2PLGF10PRSS1EPHA2
SCHEMBL8837271 0.79 OPRD1 (0.39) F2PLGF10PRSS1EPHA2
SCHEMBL7163247 0.79 MAPK8 (0.40) PLGEPHA2DPP4MAPK8MAPK9
SCHEMBL7163251 0.79 MAPK8 (0.40) PLGEPHA2DPP4MAPK8MAPK9
SCHEMBL29561678 0.78 CTRB1 (0.42) F2PLGDPP4TSHR
SCHEMBL8837303 0.78 F2 (0.41) F2PLGEPHA2DPP4MAPK8
SCHEMBL8837276 0.78 F2 (0.49) F2PLGEPHA2DPP4

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