SCHEMBL1899812

SCHEMBL1899812

CC(C)[C@@H](O)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.39
▸ PDPK1 O15530 2/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ BACE1 P56817 2/20 0.37
▸ CACNA1G O43497 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRA6 Q16445 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
SCHEMBL1902464 1.00 MASP2 (0.39) MASP2PDPK1NAMPTBACE1CACNA1G
SCHEMBL1904701 0.89 NAMPT (0.45) MASP2PDPK1NAMPTGABRPGABRD
SCHEMBL1907783 0.89 PDPK1 (0.38) MASP2PDPK1NAMPTBACE1TLR2
SCHEMBL1431876 0.89 MASP2 (0.43) MASP2PDPK1NAMPTBACE1CACNA1G
SCHEMBL1901816 0.86 MASP2 (0.39) MASP2GABRPGABRDGABRA1GABRB1
SCHEMBL1432510 0.86 MASP2 (0.38) MASP2PDPK1NAMPTBACE1CACNA1G
SCHEMBL1903992 0.85 NAMPT (0.42) MASP2PDPK1NAMPTTLR2
SCHEMBL1901340 0.85 PDPK1 (0.39) MASP2PDPK1NAMPTBACE1TLR2
SCHEMBL1431965 0.84 EHMT2 (0.43) MASP2PDPK1NAMPTCACNA1GCACNA1H
SCHEMBL1902876 0.84 BACE1 (0.40) MASP2PDPK1NAMPTBACE1

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