SCHEMBL2669820

SCHEMBL2669820

CCCCCC(C)C(Nc1ccc(C(=O)N(C)CCC=O)cc1)c1oc2cccnc2c1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.35
NAMPT P43490 5/20 0.34
KAT2B Q92831 1/20 0.33
HDAC6 Q9UBN7 4/20 0.32
ALDH1A1 P00352 2/20 0.31
ADRB2 P07550 1/20 0.31
GCG P01275 1/20 0.31
TBXAS1 P24557 1/20 0.31
CES1 P23141 1/20 0.30
DAGLA Q9Y4D2 1/20 0.30
CMKLR1 Q99788 1/20 0.30

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
SCHEMBL2669941 0.82 TP53 (0.36) NAMPT
SCHEMBL2669956 0.81 MAOB (0.35) NAMPTALDH1A1ADRB2
SCHEMBL2669894 0.79 GCGR (0.43) GCG
SCHEMBL2669992 0.77 NAMPT (0.32) NAMPTALDH1A1
SCHEMBL2669811 0.75 TP53 (0.34)
SCHEMBL2669810 0.75 NAMPT (0.34) NAMPT
SCHEMBL9070776 0.75 KMT2A (0.37) ALDH1A1TBXAS1
SCHEMBL2669900 0.74 NAMPT (0.35) NAMPTTBXAS1
SCHEMBL9070778 0.74 PTGS2 (0.42) NAMPTHDAC6GCG
SCHEMBL13069674 0.74 FFAR4 (0.34) HDAC6GCG

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