SCHEMBL1432017

SCHEMBL1432017

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
CPA1 P15085 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
KLKB1 P03952 7/20 0.41
PDPK1 O15530 1/20 0.39
MASP2 O00187 3/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
FURIN P09958 1/20 0.38
NAMPT P43490 1/20 0.36
KLK1 P06870 1/20 0.35
CPB2 Q96IY4 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
SCHEMBL1431651 0.93 MME (0.42) MMEACECPA1ACE2KLKB1
SCHEMBL3143721 0.92 KLKB1 (0.43) MMEACECPA1ACE2KLKB1
SCHEMBL3143740 0.92 KLKB1 (0.43) MMEACECPA1ACE2KLKB1
SCHEMBL1432010 0.90 ACE (0.42) MMEACECPA1ACE2KLKB1
SCHEMBL1432152 0.90 KLKB1 (0.40) KLKB1MASP2NAMPTKLK1
SCHEMBL1431642 0.88 MME (0.44) MMEACECPA1ACE2KLKB1
SCHEMBL1431687 0.88 MME (0.44) MMEACECPA1ACE2KLKB1
SCHEMBL3140131 0.88 KLKB1 (0.42) MMEACECPA1ACE2KLKB1
SCHEMBL3140100 0.88 KLKB1 (0.42) MMEACECPA1ACE2KLKB1
SCHEMBL1432492 0.88 KLKB1 (0.43) KLKB1MASP2KLK1

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

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