SCHEMBL10722838

SCHEMBL10722838

N=C(N)NCCC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ F2 P00734 1/20 0.49
▸ DPP4 P27487 1/20 0.49
▸ FAP Q12884 1/20 0.49
▸ DPP8 Q6V1X1 1/20 0.49
▸ DPP9 Q86TI2 1/20 0.49
▸ DPP7 Q9UHL4 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL10872896 0.96 F2 (0.55) OPRM1OPRD1OPRK1F2DPP4
SCHEMBL2778544 0.89 F2 (0.57) OPRM1OPRD1OPRK1F2
SCHEMBL2119635 0.89 F2 (0.57) OPRM1OPRD1OPRK1F2
SCHEMBL2778546 0.89 F2 (0.57) OPRM1OPRD1OPRK1F2
SCHEMBL6850160 0.89 F2 (0.57) OPRM1OPRD1OPRK1F2
SCHEMBL6497247 0.89 F2 (0.57) OPRM1OPRD1OPRK1F2
SCHEMBL7343548 0.87 DPP4 (0.53) OPRM1OPRD1OPRK1F2DPP4
SCHEMBL7343558 0.87 DPP4 (0.53) OPRM1OPRD1OPRK1F2DPP4
SCHEMBL2192304 0.87 OPRM1 (0.49) OPRM1OPRD1OPRK1F2DPP4
SCHEMBL7356276 0.87 F2 (0.57) OPRM1OPRD1OPRK1F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192135-A2 Oligopeptidylargininol derivatives and their homologues, process for their preparation, their use and agents containing them BEHRINGWERKE Aktiengesellschaft (DE) 1986-08-27 — — EP claimed
US-4713369-A Oligopeptidylargininol derivatives and their homologs, a process for their preparation, their use and agents containing them BEHRINGWERKE AKTIENGELLSCHAFT (DE) 1987-12-15 — — US disclosed
EP-0192135-A2 Oligopeptidylargininol derivatives and their homologues, process for their preparation, their use and agents containing them BEHRINGWERKE Aktiengesellschaft (DE) 1986-08-27 — — EP disclosed
Send feedback