SCHEMBL1432022

SCHEMBL1432022

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

nearest known ligand 0.43

Predicted protein targets (top 15)

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 3/20 0.42
MASP2 O00187 3/20 0.39
PDPK1 O15530 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
FURIN P09958 1/20 0.38
NAMPT P43490 1/20 0.37
HTRA1 Q92743 3/20 0.36
MMP1 P03956 1/20 0.36
PTPN1 P18031 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
SCHEMBL1432562 1.00 MME (0.43) MMEACECPA1ACE2KLKB1
SCHEMBL1431596 0.90 MASP2 (0.39) MMEACECPA1ACE2KLKB1
SCHEMBL1432300 0.90 MASP2 (0.40) MMEACECPA1ACE2KLKB1
SCHEMBL1431636 0.90 MME (0.43) MMEACECPA1ACE2KLKB1
SCHEMBL1431642 0.89 MME (0.44) MMEACECPA1ACE2KLKB1
SCHEMBL1431687 0.89 MME (0.44) MMEACECPA1ACE2KLKB1
SCHEMBL1431649 0.88 HTT (0.43) KLKB1MASP2FURINMMP1
SCHEMBL1431871 0.88 MASP2 (0.44) MMEACECPA1ACE2KLKB1
SCHEMBL3147989 0.88 MASP2 (0.44) MMEACECPA1ACE2KLKB1
SCHEMBL3148014 0.88 MASP2 (0.44) MMEACECPA1ACE2KLKB1

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