SCHEMBL5372501

SCHEMBL5372501

CCCOC(=O)N1CCC(c2cccnc2)N1C(=O)C(=O)C(C)(C)CC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.46
MTOR P42345 1/20 0.46
FKBP4 Q02790 1/20 0.46
FKBP5 Q13451 1/20 0.46
NPSR1 Q6W5P4 1/20 0.41
RIPK1 Q13546 2/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
BLM P54132 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL5376189 0.79 FKBP1A (0.48) FKBP1AMTORFKBP4FKBP5
SCHEMBL7433188 0.74 FKBP1A (0.59) FKBP1AMTORFKBP4FKBP5
SCHEMBL5369696 0.69 FKBP1A (0.66) FKBP1AMTORFKBP4FKBP5
SCHEMBL5364010 0.69 FKBP1A (0.64) FKBP1AMTORFKBP4FKBP5
SCHEMBL30611182 0.67 LMNA (0.57) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL5376185 0.67 FKBP1A (0.49) FKBP1AMTORFKBP4FKBP5
SCHEMBL28332971 0.67 FKBP1A (0.41) FKBP1AMTORFKBP4FKBP5RIPK1
SCHEMBL30675171 0.66 GPR119 (0.53) RIPK1KDM4EALDH1A1BLMALOX15
SCHEMBL27703992 0.66 GPR119 (0.53) RIPK1KDM4EALDH1A1BLMALOX15
SCHEMBL14883447 0.65 ALDH1A1 (0.60) KDM4EALDH1A1BLMALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253169-B2 Aza compounds, pharmaceutical compositions and methods of use GLIAMED, INC. (US) 2007-08-07 US claimed
WO-2001079177-A1 CYCLIC DIAZA COMPOUNDS FOR TREATING NEURODEGENERATIVE DISORDERS GPI NIL HOLDINGS, INC. (US) 2001-10-25 WO claimed
WO-2001079177-A1 CYCLIC DIAZA COMPOUNDS FOR TREATING NEURODEGENERATIVE DISORDERS GPI NIL HOLDINGS, INC. (US) 2001-10-25 WO disclosed