SCHEMBL6211364

SCHEMBL6211364

Cc1ccc(C(=O)NCCCCC(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.45
NAMPT P43490 3/20 0.43
LMNA P02545 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
PTAFR P25105 1/20 0.37
RAB9A P51151 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
SCHEMBL6212946 0.92 RAB9A (0.47) DPP4NAMPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6211394 0.92 LMNA (0.40) DPP4NAMPTLMNAHDAC3ALDH1A1
SCHEMBL6209824 0.92 DPP4 (0.47) DPP4NAMPTLMNAALDH1A1MEN1
SCHEMBL6212587 0.92 NAMPT (0.42) DPP4NAMPTLMNAHDAC3HDAC1
SCHEMBL5941964 0.90 PKM (0.38) DPP4NAMPTLMNAALDH1A1
SCHEMBL6259546 0.89 ALDH1A1 (0.46) NAMPTLMNAHDAC3HDAC1ALDH1A1
SCHEMBL6210118 0.89 DPP4 (0.44) DPP4NAMPTLMNAHDAC3HDAC1
SCHEMBL6258369 0.88 LMNA (0.44) DPP4NAMPTLMNAHDAC3HDAC1
SCHEMBL6213622 0.87 LMNA (0.38) DPP4NAMPTLMNAALDH1A1CYP3A4
SCHEMBL6209890 0.87 DPP4 (0.37) DPP4NAMPTLMNAALDH1A1SMYD3

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