SCHEMBL5044951

SCHEMBL5044951

CCCCCCCCc1noc(CCc2ccc(C[N]Cc3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.41
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 2/20 0.37
OPRL1 P41146 1/20 0.37
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
PPARA Q07869 1/20 0.35
MEN1 O00255 1/20 0.35
PLK1 P53350 1/20 0.34

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
SCHEMBL1855651 0.87 HDAC1 (0.43) SPHK1HDAC1HDAC2HDAC8SIRT2
SCHEMBL1853070 0.87 HDAC1 (0.43) SPHK1HDAC1HDAC2HDAC8SIRT2
SCHEMBL1850427 0.85 HDAC1 (0.37) SPHK1HDAC1HDAC2HDAC8SIRT2
SCHEMBL1850428 0.85 L3MBTL1 (0.54) SPHK1HDAC1HDAC2HDAC8SIRT2
SCHEMBL6783418 0.84 NPC1 (0.47) SPHK1OPRL1PPARA
SCHEMBL5048947 0.82 HDAC1 (0.35) SPHK1HDAC1HDAC2HDAC8SIRT2
SCHEMBL5045622 0.82 FAAH (0.48) HDAC1HDAC8PLK1
SCHEMBL5048334 0.82 FAAH (0.48) HDAC1HDAC8PLK1
SCHEMBL4966332 0.80 FAAH (0.49) HDAC1HDAC8PLK1
SCHEMBL1854119 0.80 PLK1 (0.40) HDAC1HDAC2HDAC8L3MBTL1KMT2A

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