SCHEMBL6211548

SCHEMBL6211548

O=C(NCCCCC(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.42
DPP4 P27487 2/20 0.41
PREP P48147 1/20 0.41
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
HTR2A P28223 1/20 0.38
NAMPT P43490 2/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
TACR3 P29371 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL6211916 0.87 CHRM4 (0.40) CHRM4DPP4PREPDRD2DRD4
SCHEMBL6210300 0.87 DPP4 (0.47) DPP4NAMPTHDAC3HDAC1MEN1
SCHEMBL6210232 0.87 KMT2A (0.52) DPP4NAMPTHDAC3HDAC1MEN1
SCHEMBL6212982 0.86 CTSK (0.50) DRD2NAMPTHDAC3HDAC1MEN1
SCHEMBL6211258 0.85 KMT2A (0.54) DPP4DRD2HTR2ANAMPTHDAC3
SCHEMBL6209350 0.85 NAMPT (0.40) DPP4DRD2DRD4HTR2ANAMPT
SCHEMBL6209530 0.85 CHRM4 (0.43) CHRM4DPP4NAMPTMEN1KMT2A
SCHEMBL6212663 0.84 TAOK1 (0.39) DPP4NAMPTHDAC3HDAC1MEN1
SCHEMBL6211589 0.83 RAB9A (0.46) CHRM4DPP4NAMPTHDAC3HDAC1
SCHEMBL6210116 0.83 TLR7 (0.44) DPP4PREPNAMPTHDAC3HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed