SCHEMBL4318995

SCHEMBL4318995

NC(=O)[C@@H](C(=O)NCc1ccc(N)nc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.49
MASP2 O00187 3/20 0.48
BACE1 P56817 2/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
HDAC1 Q13547 4/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43

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
SCHEMBL4303439 0.93 NAMPT (0.53) NAMPTMASP2HDAC1GABRPGABRD
SCHEMBL4309387 0.86 NAMPT (0.44) NAMPTMASP2HDAC1GABRPGABRD
SCHEMBL4313762 0.85 NAMPT (0.56) NAMPTMASP2GABRPGABRDGABRA1
SCHEMBL4310295 0.85 CYP2C9 (0.46) NAMPTMASP2HDAC1GABRPGABRD
SCHEMBL4312613 0.82 SMN1; SMN2 (0.45) NAMPTMASP2ALDH1A1
SCHEMBL4303085 0.82 EPHX2 (0.44) NAMPTMASP2LMNAEPHX2ALDH1A1
SCHEMBL4318894 0.82 MEN1 (0.45) NAMPTMASP2HDAC1
SCHEMBL3157855 0.82 MASP2 (0.53) NAMPTMASP2BACE1BACE2GABRP
SCHEMBL4309246 0.81 MEN1 (0.43) NAMPTMASP2LMNAEPHX2
SCHEMBL3154097 0.81 MMP8 (0.52) NAMPTMASP2BACE1BACE2GABRP

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