SCHEMBL1904701

SCHEMBL1904701

CC(C)[C@H](O)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.45
▸ MASP2 O00187 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMO Q99835 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GABRG1 Q8N1C3 1/20 0.37
▸ GABRG3 Q99928 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
SCHEMBL1902464 0.89 MASP2 (0.39) NAMPTMASP2GABRPGABRDGABRA1
SCHEMBL1899812 0.89 MASP2 (0.39) NAMPTMASP2GABRPGABRDGABRA1
SCHEMBL1432545 0.88 NAMPT (0.44) NAMPTMASP2L3MBTL1EHMT2HPGD
SCHEMBL1904386 0.88 NAMPT (0.45) NAMPTMASP2L3MBTL1SMOEHMT2
SCHEMBL1431865 0.88 NAMPT (0.45) NAMPTMASP2L3MBTL1SMOEHMT2
SCHEMBL1432011 0.88 NAMPT (0.45) NAMPTMASP2L3MBTL1SMOEHMT2
SCHEMBL1901816 0.85 MASP2 (0.39) MASP2GABRPGABRDGABRA1GABRB1
SCHEMBL1432651 0.85 NAMPT (0.46) NAMPTMASP2L3MBTL1SMOEHMT2
SCHEMBL1432449 0.85 NAMPT (0.43) NAMPTMASP2L3MBTL1SMOEHMT2
SCHEMBL1432861 0.84 NAMPT (0.43) NAMPTMASP2L3MBTL1SMOEHMT2

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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