SCHEMBL5048823

SCHEMBL5048823

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.63
HDAC3 O15379 7/20 0.59
HDAC1 Q13547 4/20 0.57
HDAC2 Q92769 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MLYCD O95822 1/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
TLR2 O60603 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
CA2 P00918 1/20 0.49
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 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
SCHEMBL5039785 1.00 NAAA (0.63) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL27601086 1.00 NAAA (0.63) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL27601017 0.87 NAAA (0.61) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL1852144 0.86 MLYCD (0.55) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL1858482 0.86 MLYCD (0.55) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL1855424 0.86 NAAA (0.60) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL28754789 0.85 L3MBTL1 (0.62) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL2665712 0.84 SMN1; SMN2 (0.52) HDAC1SMN1; SMN2NPC1RAB9ACA2
SCHEMBL29300146 0.83 L3MBTL1 (0.60) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL1859500 0.83 HDAC3 (0.54) NAAAHDAC3HDAC1HDAC2L3MBTL1

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 3 patents. 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
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed