SCHEMBL5045561

SCHEMBL5045561

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)C(C)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.60
TMEM97 Q5BJF2 4/20 0.54
SIGMAR1 Q99720 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
HDAC3 O15379 4/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
MLYCD O95822 1/20 0.48
FOLH1 Q04609 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL5041108 0.88 NAAA (0.59) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL5045619 0.87 MLYCD (0.53) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL5046504 0.87 NAAA (0.57) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL5039845 0.86 NAAA (0.56) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL1854271 0.86 NAAA (0.56) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL1854087 0.86 NAAA (0.56) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL5045814 0.86 NAAA (0.56) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL1856056 0.86 NAAA (0.56) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL1853317 0.81 NAAA (0.66) NAAATMEM97SIGMAR1L3MBTL1HDAC3
SCHEMBL1859658 0.80 NAAA (0.64) NAAATMEM97SIGMAR1L3MBTL1HDAC3

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