SCHEMBL6209350

SCHEMBL6209350

C=Cc1ccc(C(=O)NCCCCC(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
HDAC6 Q9UBN7 2/20 0.38
CTSK P43235 2/20 0.38
DPP4 P27487 2/20 0.37
DRD3 P35462 2/20 0.37
PLD2 O14939 1/20 0.37
PLD1 Q13393 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL6210232 0.90 KMT2A (0.52) NAMPTKMT2AMEN1HDAC6CTSK
SCHEMBL6210300 0.88 DPP4 (0.47) NAMPTKMT2AMEN1HDAC6CTSK
SCHEMBL6212982 0.88 CTSK (0.50) NAMPTKMT2AMEN1HDAC6CTSK
SCHEMBL6209530 0.88 CHRM4 (0.43) NAMPTKMT2AMEN1HDAC6CTSK
SCHEMBL6211258 0.88 KMT2A (0.54) NAMPTKMT2AMEN1CTSKDPP4
SCHEMBL6210886 0.87 DPP4 (0.37) NAMPTKMT2AMEN1HDAC6DPP4
SCHEMBL6210377 0.86 CTSK (0.40) NAMPTKMT2AMEN1CTSKDRD3
SCHEMBL6210116 0.85 TLR7 (0.44) NAMPTKMT2AMEN1CTSKDPP4
SCHEMBL6211589 0.85 RAB9A (0.46) NAMPTKMT2AMEN1HDAC6CTSK
SCHEMBL6211548 0.85 CHRM4 (0.42) NAMPTKMT2AMEN1HDAC6CTSK

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