SCHEMBL5045478

SCHEMBL5045478

CCCCCCCCCCCCNC(=O)c1cccc(CN(O)Cc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.54
SIGMAR1 Q99720 8/20 0.53
TMEM97 Q5BJF2 6/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CETP P11597 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 1/20 0.45
STAT3 P40763 1/20 0.45

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
SCHEMBL5044268 0.91 NAAA (0.60) NAAASIGMAR1TMEM97MEN1NPC1
SCHEMBL5039808 0.90 GAA (0.56) NAAASIGMAR1GAAMAPTSMN1; SMN2
SCHEMBL1854062 0.89 NAAA (0.51) NAAASIGMAR1TMEM97GAAMAPT
SCHEMBL5040331 0.86 SMN1; SMN2 (0.54) NAAASIGMAR1TMEM97SMN1; SMN2
SCHEMBL1856151 0.86 NAAA (0.47) NAAASIGMAR1TMEM97GAAMAPT
SCHEMBL5047697 0.85 NAAA (0.46) NAAASIGMAR1TMEM97SMN1; SMN2MEN1
SCHEMBL27601103 0.85 NAAA (0.56) NAAAGAAMAPTSMN1; SMN2
SCHEMBL5041082 0.83 NAAA (0.60) NAAASIGMAR1TMEM97SMN1; SMN2KMT2A
SCHEMBL5039921 0.83 SMN1; SMN2 (0.56) NAAASIGMAR1TMEM97SMN1; SMN2NPC1
SCHEMBL5039801 0.82 SIGMAR1 (0.53) NAAASIGMAR1TMEM97GAAMAPT

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