SCHEMBL1432010

SCHEMBL1432010

CCC(C)[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(N)nc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.42
MME P08473 2/20 0.42
CPA1 P15085 2/20 0.42
ACE2 Q9BYF1 2/20 0.42
NAMPT P43490 1/20 0.42
MASP2 O00187 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KLKB1 P03952 4/20 0.39
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
FURIN P09958 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KLK1 P06870 1/20 0.37
SMO Q99835 1/20 0.36

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
SCHEMBL1432218 0.93 NAMPT (0.43) ACEMMECPA1ACE2NAMPT
SCHEMBL1432152 0.90 KLKB1 (0.40) NAMPTMASP2KLKB1CTSSCTSK
SCHEMBL1432017 0.90 MME (0.43) ACEMMECPA1ACE2NAMPT
SCHEMBL1432584 0.88 MME (0.44) ACEMMECPA1ACE2NAMPT
SCHEMBL1432421 0.86 KLKB1 (0.41) MASP2KLKB1FURINKLK1
SCHEMBL1431636 0.86 MME (0.43) ACEMMECPA1ACE2NAMPT
SCHEMBL3150292 0.86 NAMPT (0.45) NAMPTMASP2MEN1KMT2AKLKB1
SCHEMBL3150277 0.86 NAMPT (0.45) NAMPTMASP2MEN1KMT2AKLKB1
SCHEMBL3143640 0.86 NAMPT (0.44) ACEMMECPA1ACE2NAMPT
SCHEMBL3143598 0.86 NAMPT (0.44) ACEMMECPA1ACE2NAMPT

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