SCHEMBL1433338

SCHEMBL1433338

CCC(C)[C@@H](NC)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCc1ccc(N)nc1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.51
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
MASP2 O00187 4/20 0.45
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CTSK P43235 2/20 0.40
CTSS P25774 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL1432178 0.80 F2 (0.51) F2MASP2
SCHEMBL1433101 0.80 CTSS (0.65) F2MASP2CTSKCTSSCTSB
SCHEMBL3157541 0.78 F2 (0.58) F2MASP2
SCHEMBL1433349 0.78 F2 (0.51) F2MASP2CTSS
Hydrochloric Acid SCHEMBL3153046 0.77 F2 (0.57) F2MASP2
Hydrochloric Acid SCHEMBL1432141 0.77 F2 (0.57) F2MASP2
SCHEMBL1434273 0.77 F2 (0.50) F2MASP2CTSKCTSS
SCHEMBL1431845 0.76 MME (0.51) MMEACECPA1ACE2MASP2
SCHEMBL13623819 0.75 F2 (0.52) F2MASP2
SCHEMBL1432873 0.75 F2 (0.52) F2MASP2

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 disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed