SCHEMBL4303211

SCHEMBL4303211

NC(=O)[C@@H](C(=O)NCc1ccc(N)nc1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.46
MASP2 O00187 3/20 0.45
HDAC1 Q13547 2/20 0.43
TRPV1 Q8NER1 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 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
SCHEMBL4314574 0.85 MASP2 (0.48) NAMPTMASP2HDAC1GABRPGABRD
SCHEMBL4309515 0.85 MASP2 (0.48) NAMPTMASP2HDAC1CARM1PRMT6
SCHEMBL4309444 0.85 NAMPT (0.47) NAMPTMASP2HDAC1GABRPGABRD
SCHEMBL4309556 0.82 NAMPT (0.44) NAMPTMASP2HDAC1TRPV1ALDH1A1
SCHEMBL4308881 0.82 NAMPT (0.44) NAMPTMASP2HDAC1GABRPGABRD
SCHEMBL4303439 0.82 NAMPT (0.53) NAMPTMASP2HDAC1GABRPGABRD
SCHEMBL1431844 0.80 MASP2 (0.45) NAMPTMASP2HDAC1CARM1PRMT6
SCHEMBL1905450 0.80 MASP2 (0.43) NAMPTMASP2HDAC1CARM1PRMT6
SCHEMBL4313075 0.80 F2 (0.51) MASP2
SCHEMBL1904477 0.79 MASP2 (0.42) NAMPTMASP2HDAC1CARM1PRMT6

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