SCHEMBL9541465

SCHEMBL9541465

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.43
PLG P00747 6/20 0.43
PLAT P00750 2/20 0.42
DPP4 P27487 1/20 0.41
F10 P00742 3/20 0.41
PRSS1 P07477 3/20 0.41
OPRM1 P35372 2/20 0.38
EPHA2 P29317 2/20 0.36
XIAP P98170 1/20 0.36
REN P00797 1/20 0.35
ACE P12821 1/20 0.35

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
SCHEMBL27553573 0.87 PLG (0.44) F2PLGPLATF10PRSS1
SCHEMBL31467762 0.87 OPRM1 (0.44) DPP4OPRM1EPHA2
SCHEMBL9450491 0.87 OPRM1 (0.46) F2DPP4OPRM1EPHA2XIAP
SCHEMBL27532662 0.86 F2 (0.57) F2PLGF10PRSS1OPRM1
SCHEMBL7356254 0.86 F2 (0.57) F2PLGF10PRSS1OPRM1
SCHEMBL7356276 0.86 F2 (0.57) F2PLGF10PRSS1OPRM1
SCHEMBL6850997 0.86 F2 (0.57) F2PLGF10PRSS1OPRM1
SCHEMBL6850981 0.86 F2 (0.57) F2PLGF10PRSS1OPRM1
SCHEMBL27533421 0.85 PLG (0.44) F2PLGPLATF10PRSS1
Acetic Acid SCHEMBL10728075 0.85 F2 (0.56) F2PLGOPRM1

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
WO-1993015756-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1993-08-19 WO disclosed