SCHEMBL5044865

SCHEMBL5044865

CCCCCc1ccc(CNC(=O)c2ccc(CN(O)Cc3ccccc3I)c(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PLK1 P53350 3/20 0.39
PLK3 Q9H4B4 3/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL1854814 0.90 TRPV1 (0.45) TRPV1ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL5047842 0.89 TRPV1 (0.46) TRPV1ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL5040041 0.85 NAAA (0.48) HPGDLMNAL3MBTL1HDAC3HDAC1
SCHEMBL5044933 0.83 LMNA (0.46) TRPV1ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL1857834 0.79 TRPV1 (0.44) TRPV1ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL1855988 0.79 TRPV1 (0.44) TRPV1ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL5044795 0.78 MEN1 (0.45) TRPV1HDAC3HDAC1HDAC2
SCHEMBL5047722 0.77 TRPV1 (0.43) TRPV1ALDH1A1HPGDLMNAHDAC3
SCHEMBL1856836 0.77 NAAA (0.47) LMNAL3MBTL1TMEM97SIGMAR1
SCHEMBL1854547 0.76 MAPK14 (0.47) TRPV1ALDH1A1HPGDLMNAL3MBTL1

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