SCHEMBL1384512

SCHEMBL1384512

COC(=O)[C@@H](CC(C)C)NCC(=O)N(C)c1ccc(NC(=O)C2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
F10 P00742 6/20 0.45
KLKB1 P03952 4/20 0.44
CFD P00746 1/20 0.39
CCR1 P32246 3/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL8284385 1.00 POLB (0.56) POLBF10KLKB1CFDCCR1
SCHEMBL13316240 0.93 POLB (0.51) POLBF10KLKB1CFDCCR1
SCHEMBL3583539 0.93 POLB (0.52) POLBF10KLKB1CCR1MEN1
SCHEMBL3583002 0.88 POLB (0.55) POLBF10KLKB1CCR1MEN1
SCHEMBL3580388 0.85 POLB (0.55) POLBF10KLKB1CCR1MEN1
SCHEMBL3581948 0.84 POLB (0.53) POLBF10KLKB1CCR1MEN1
SCHEMBL3582631 0.83 POLB (0.55) POLBF10KLKB1CCR1MEN1
SCHEMBL3588453 0.82 POLB (0.52) POLBF10KLKB1CCR1MEN1
SCHEMBL3580372 0.82 POLB (0.54) POLBF10KLKB1CCR1MEN1
SCHEMBL3591636 0.82 POLB (0.55) POLBF10KLKB1CCR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4800969-B2 2011-10-26 JP claimed
EP-1697318-B1 PROLINYLARYLACETAMIDES MERCK PATENT GMBH (DE) 2008-08-27 EP claimed
EP-1697318-A1 PROLINYLARYLACETAMIDES MERCK PATENT GmbH (DE) 2006-09-06 EP claimed
WO-2005058817-A1 PROLINYLARYLACETAMIDES MERCK PATENT GMBH (DE) 2005-06-30 WO claimed
EP-1697318-B1 PROLINYLARYLACETAMIDES MERCK PATENT GMBH (DE) 2008-08-27 EP disclosed
EP-1697318-A1 PROLINYLARYLACETAMIDES MERCK PATENT GmbH (DE) 2006-09-06 EP disclosed
WO-2005058817-A1 PROLINYLARYLACETAMIDES MERCK PATENT GMBH (DE) 2005-06-30 WO disclosed