SCHEMBL1432152

SCHEMBL1432152

CCC(C)[C@H](C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NCc1ccc(N)nc1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 12/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MASP2 O00187 3/20 0.39
ANPEP P15144 1/20 0.39
KLK1 P06870 3/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL1432010 0.90 ACE (0.42) KLKB1CTSSCTSKMASP2KLK1
SCHEMBL1432492 0.90 KLKB1 (0.43) KLKB1CTSSCTSKMASP2KLK1
SCHEMBL1432017 0.90 MME (0.43) KLKB1MASP2KLK1NAMPT
SCHEMBL1432540 0.89 MASP2 (0.43) KLKB1CTSSCTSKMASP2ANPEP
SCHEMBL1432421 0.86 KLKB1 (0.41) KLKB1MASP2KLK1
SCHEMBL1432218 0.83 NAMPT (0.43) KLKB1CTSSCTSKMASP2KLK1
SCHEMBL1431651 0.83 MME (0.42) KLKB1MASP2NAMPT
SCHEMBL3137896 0.82 KLKB1 (0.45) KLKB1CTSSCTSKMASP2KLK1
SCHEMBL1432675 0.82 KLKB1 (0.45) KLKB1CTSSCTSKMASP2KLK1
SCHEMBL3143740 0.81 KLKB1 (0.43) KLKB1MASP2KLK1NAMPT

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