SCHEMBL4302046

SCHEMBL4302046

NC(=O)C(C(=O)NCc1ccc(N)nc1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
NAMPT P43490 3/20 0.39
CPB1 P15086 2/20 0.39
PPIB P23284 1/20 0.39
EPHX1 P07099 1/20 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
SCHEMBL13505288 0.80 PPIB (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1432433 0.76 PPIB (0.42) NAMPTCPB1PPIBEPHX1TPSAB1
SCHEMBL1431931 0.75 MASP2 (0.43) NAMPTCPB1PPIBMETTL3MASP2
SCHEMBL4310703 0.74 MASP2 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8184751 0.74 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19078878 0.73 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1432187 0.73 MASP2 (0.43) NAMPTCPB1PPIBMASP2
SCHEMBL3154833 0.71 MASP2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1901155 0.71 MASP2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1901151 0.71 MASP2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2

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