SCHEMBL5045657

SCHEMBL5045657

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)Cc2ccncc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.57
NAMPT P43490 2/20 0.56
MLYCD O95822 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL5041082 0.87 NAAA (0.60) NAAAL3MBTL1NAMPTCYP1A2CYP2C9
SCHEMBL5045529 0.87 TRPV1 (0.60) NAAAL3MBTL1SMN1; SMN2LMNATMEM97
SCHEMBL5044615 0.87 TMEM97 (0.60) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL1851280 0.86 NAAA (0.64) NAAAL3MBTL1NAMPTMLYCDTHRA
SCHEMBL27619596 0.85 NAAA (0.74) NAAAL3MBTL1NAMPTMLYCDCYP1A2
SCHEMBL5040097 0.84 NPC1 (0.68) NAAAL3MBTL1NAMPTMLYCDTHRA
SCHEMBL5044088 0.84 NAAA (0.54) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL29067687 0.84 NAAA (1.00) NAAAL3MBTL1NAMPTMLYCDTHRA
SCHEMBL10779959 0.84 NAAA (1.00) NAAAL3MBTL1NAMPTMLYCDTHRA
SCHEMBL3893523 0.84 NAAA (1.00) NAAAL3MBTL1NAMPTMLYCDTHRA

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed