SCHEMBL1434152

SCHEMBL1434152

CCC(C)[C@H](C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Nc2ccccc2)nc1)N(C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.41
KLK1 P06870 3/20 0.38
PSMB5 P28074 3/20 0.38
PSMB1 P20618 1/20 0.38
F7 P08709 2/20 0.36
HTRA1 Q92743 2/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
PTPN1 P18031 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
SCHEMBL1432421 0.79 KLKB1 (0.41) KLKB1KLK1F7HTRA1
SCHEMBL13416201 0.77 KLKB1 (0.39) KLKB1KLK1F7
SCHEMBL1431651 0.74 MME (0.42) KLKB1PSMB5PSMB1HTRA1MME
SCHEMBL3148655 0.74 KLKB1 (0.41) KLKB1KLK1F7HTRA1
SCHEMBL3149326 0.74 KLKB1 (0.41) KLKB1KLK1F7HTRA1
SCHEMBL3148667 0.74 KLKB1 (0.41) KLKB1KLK1F7HTRA1
SCHEMBL1433934 0.73 KLKB1 (0.39) KLKB1KLK1F7HTRA1
SCHEMBL1433933 0.73 KLKB1 (0.39) KLKB1KLK1F7HTRA1
SCHEMBL1433938 0.73 KLKB1 (0.39) KLKB1KLK1F7HTRA1
SCHEMBL1432218 0.73 NAMPT (0.43) KLKB1KLK1PSMB5MMEACE

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 EP disclosed