SCHEMBL5044173

SCHEMBL5044173

CCCCCCCCCCCCNC(=O)c1ccc(C[N]Cc2ccc(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.54
NAAA Q02083 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CA2 P00918 1/20 0.45
HDAC3 O15379 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL5044174 0.86 MLYCD (0.58) MLYCDNAAAL3MBTL1EPHX2SMN1; SMN2
SCHEMBL6022530 0.82 MLYCD (0.58) MLYCDNAAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL1854718 0.81 MLYCD (0.49) MLYCDNAAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL6718534 0.80 NAAA (0.73) MLYCDNAAAL3MBTL1MEN1KMT2A
SCHEMBL5044259 0.79 NAAA (0.62) MLYCDNAAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL6726138 0.78 MLYCD (0.56) MLYCDNAAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL6022200 0.78 DRD2 (0.49) MLYCDNAAAL3MBTL1SMN1; SMN2CA2
SCHEMBL6717480 0.78 MLYCD (0.53) MLYCDNAAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL5039488 0.77 MLYCD (0.49) MLYCDNAAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL11338002 0.77 MLYCD (0.63) MLYCDNAAAL3MBTL1EPHX2SMN1; SMN2

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 4 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 claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed