SCHEMBL1901816

SCHEMBL1901816

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.39
▸ TSHR P16473 1/20 0.36
▸ F7 P08709 1/20 0.35
▸ 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
▸ GABRG1 Q8N1C3 1/20 0.35
▸ GABRG3 Q99928 1/20 0.35
▸ GABRQ Q9UN88 1/20 0.35
▸ F2R P25116 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
SCHEMBL1432473 0.89 MASP2 (0.38) MASP2TSHRF7FURINCPB2
SCHEMBL1432596 0.88 MASP2 (0.39) MASP2TSHRF2RFURINKCNH2
SCHEMBL1899812 0.86 MASP2 (0.39) MASP2GABRPGABRDGABRA1GABRB1
SCHEMBL1902464 0.86 MASP2 (0.39) MASP2GABRPGABRDGABRA1GABRB1
SCHEMBL1904701 0.85 NAMPT (0.45) MASP2GABRPGABRDGABRA1GABRB1
SCHEMBL1907931 0.84 BACE1 (0.40) MASP2CPB2
SCHEMBL1431488 0.83 MALT1 (0.39) MASP2KCNH2
SCHEMBL1431704 0.82 MASP2 (0.43) MASP2CPB2
SCHEMBL1432287 0.81 MASP2 (0.39) MASP2CPB2
SCHEMBL1431986 0.81 MASP2 (0.42) MASP2KCNH2

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 claimed
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