SCHEMBL2669883

SCHEMBL2669883

CCCC(CCC)C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)c1nn(C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.44
NAMPT P43490 5/20 0.37
MCHR1 Q99705 1/20 0.36
TNF P01375 1/20 0.36
PARP1 P09874 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
KAT2B Q92831 1/20 0.34
PLA2G2A P14555 1/20 0.34
SSTR4 P31391 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ADRB2 P07550 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9070785 0.90 GCG (0.43) GCGNAMPTMCHR1TNFPARP1
SCHEMBL2669986 0.86 GCG (0.40) GCGNAMPTMCHR1TNFPARP1
SCHEMBL719715 0.79 HTR3A (0.37) GCGNAMPTMCHR1HDAC6KAT2B
SCHEMBL2669921 0.76 GCG (0.41) GCGNAMPTMCHR1HDAC6HTT
SCHEMBL2669985 0.76 GCGR (0.47) GCG
SCHEMBL721466 0.76 PDE7A (0.36) GCGNAMPTKAT2BSSTR4ALDH1A1
SCHEMBL2669983 0.75 GCG (0.41) GCGNAMPTMCHR1HDAC6MEN1
SCHEMBL2669773 0.70 NPC1 (0.39) GCGHDAC6ALDH1A1MEN1HPGD
SCHEMBL721467 0.70 SSTR4 (0.35) NAMPTTNFHDAC6KAT2BSSTR4
SCHEMBL720161 0.70 P2RX7 (0.38) GCGNAMPTHDAC6

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
WO-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed