SCHEMBL4309387

SCHEMBL4309387

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.44
MASP2 O00187 3/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
HDAC1 Q13547 3/20 0.39
CPB2 Q96IY4 2/20 0.39

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
SCHEMBL4310295 0.89 CYP2C9 (0.46) NAMPTMASP2GABRPGABRDGABRA1
SCHEMBL4313762 0.89 NAMPT (0.56) NAMPTMASP2GABRPGABRDGABRA1
SCHEMBL4303439 0.88 NAMPT (0.53) NAMPTMASP2GABRPGABRDGABRA1
SCHEMBL4318995 0.86 NAMPT (0.49) NAMPTMASP2GABRPGABRDGABRA1
SCHEMBL4312613 0.85 SMN1; SMN2 (0.45) NAMPTMASP2
SCHEMBL4303085 0.85 EPHX2 (0.44) NAMPTMASP2FURIN
SCHEMBL4318894 0.85 MEN1 (0.45) NAMPTMASP2HDAC1
SCHEMBL4309246 0.84 MEN1 (0.43) NAMPTMASP2
SCHEMBL4305726 0.83 NAMPT (0.45) NAMPTMASP2GABRPGABRDGABRA1
SCHEMBL4308746 0.83 NAMPT (0.41) NAMPTMASP2GABRPGABRDGABRA1

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