SCHEMBL8837271

SCHEMBL8837271

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1Cc2ccccc2CO1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.39
F2 P00734 5/20 0.39
OPRM1 P35372 7/20 0.39
PLG P00747 2/20 0.39
OPRK1 P41145 6/20 0.38
DPP4 P27487 2/20 0.38
EPHA2 P29317 1/20 0.38
F10 P00742 1/20 0.37
PRSS1 P07477 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
SCHEMBL7102304 0.84 F2 (0.42) OPRD1F2OPRM1PLGOPRK1
SCHEMBL8837269 0.83 F2 (0.45) F2OPRM1PLGOPRK1DPP4
SCHEMBL7102702 0.79 F2 (0.60) OPRD1F2PLGDPP4EPHA2
SCHEMBL9407285 0.79 PREP (0.37) PLGDPP4F10PRSS1
SCHEMBL8837276 0.79 F2 (0.49) F2OPRM1PLGOPRK1DPP4
SCHEMBL21711187 0.78 F2 (0.47) F2OPRM1PLGOPRK1
SCHEMBL31110301 0.78 F2 (0.47) F2OPRM1PLGOPRK1
SCHEMBL6497247 0.77 F2 (0.57) OPRD1F2OPRM1OPRK1
SCHEMBL8837297 0.77 F2 (0.48) F2OPRM1PLGOPRK1EPHA2
SCHEMBL2778546 0.77 F2 (0.57) OPRD1F2OPRM1OPRK1

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-0629212-B1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF GYOGYSZERKUTATO INTEZET (HU) 1997-10-08 EP claimed