SCHEMBL1905699

SCHEMBL1905699

CC(C)(OC(=O)C(F)(F)F)C(=O)N[C@@H](C(=O)NCc1ccc(N)nc1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.39
PPIB P23284 1/20 0.38
FURIN P09958 1/20 0.34
CPB2 Q96IY4 3/20 0.33
KIT P10721 2/20 0.33
MAPK14 Q16539 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
REN P00797 4/20 0.33
CPB1 P15086 1/20 0.33
TLR2 O60603 1/20 0.32
LCK P06239 1/20 0.32
SRC P12931 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL1905698 0.86 MASP2 (0.42) MASP2PPIBFURINCPB2KIT
SCHEMBL6882736 0.86 MASP2 (0.43) MASP2PPIBFURINCPB2KIT
SCHEMBL1432429 0.84 CYP3A4 (0.42) MASP2PPIBREN
SCHEMBL1433675 0.81 MASP2 (0.43) MASP2PPIBFURINCPB2KIT
SCHEMBL3157818 0.81 MASP2 (0.43) MASP2PPIBFURINCPB2KIT
SCHEMBL3153401 0.79 REN (0.48) REN
SCHEMBL3153410 0.79 REN (0.48) REN
SCHEMBL3153397 0.79 REN (0.48) REN
SCHEMBL1432393 0.79 MASP2 (0.43) MASP2PPIBCPB2CPB1
SCHEMBL1432406 0.79 MASP2 (0.43) MASP2PPIBCPB2CPB1

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
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed