SCHEMBL5039780

SCHEMBL5039780

CCCCCCCCCCCCNC(=O)c1ccc(C[N][C@H](C)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.53
HDAC3 O15379 4/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MLYCD O95822 1/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
CA2 P00918 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
EPHX1 P07099 3/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5048821 1.00 NAAA (0.61) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL6023358 0.87 MLYCD (0.54) NAAAL3MBTL1HDAC3HDAC1SMN1; SMN2
SCHEMBL6721904 0.87 MLYCD (0.54) NAAAL3MBTL1HDAC3HDAC1SMN1; SMN2
SCHEMBL6718534 0.84 NAAA (0.73) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL5045053 0.84 NAAA (0.52) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL27601086 0.80 NAAA (0.63) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL5039785 0.80 NAAA (0.63) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL5048823 0.80 NAAA (0.63) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL5045561 0.78 NAAA (0.60) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL1854271 0.78 NAAA (0.56) NAAAL3MBTL1HDAC3HDAC1HDAC2

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