SCHEMBL6924797

SCHEMBL6924797

C[C@H](Nc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.48
PLG P00747 6/20 0.48
F10 P00742 3/20 0.46
PRSS1 P07477 3/20 0.46
OPRM1 P35372 6/20 0.41
OPRK1 P41145 6/20 0.41
FKBP1A P62942 1/20 0.41
ACE P12821 1/20 0.40
EPHA2 P29317 2/20 0.39
PLAT P00750 2/20 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
SCHEMBL8377689 0.88 ACE (0.47) F2OPRM1OPRK1FKBP1AACE
SCHEMBL21068023 0.86 OPRM1 (0.44) F2OPRM1OPRK1FKBP1AACE
Acetic Acid SCHEMBL10728075 0.85 F2 (0.56) F2PLGOPRM1OPRK1
SCHEMBL8950750 0.85 ACE (0.43) F2OPRM1OPRK1ACEEPHA2
SCHEMBL7356254 0.84 F2 (0.57) F2PLGF10PRSS1OPRM1
SCHEMBL6850981 0.84 F2 (0.57) F2PLGF10PRSS1OPRM1
SCHEMBL7356276 0.84 F2 (0.57) F2PLGF10PRSS1OPRM1
SCHEMBL6850997 0.84 F2 (0.57) F2PLGF10PRSS1OPRM1
SCHEMBL27532662 0.84 F2 (0.57) F2PLGF10PRSS1OPRM1
SCHEMBL27533421 0.84 PLG (0.44) F2PLGF10PRSS1OPRM1

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-0946178-A4 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIOVASCULAR DISEASE MERCK & CO INC (US) 2003-05-07 EP claimed
EP-0946178-A1 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIOVASCULAR DISEASE Merck & Co., Inc. (US) 1999-10-06 EP claimed
WO-1998011896-A1 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIOVASCULAR DISEASE MERCK & CO., INC. (US) 1998-03-26 WO claimed