SCHEMBL14635700

SCHEMBL14635700

CC(C)(C)OC(=O)N1CCC(c2cccc(-c3nnn[nH]3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
NAMPT P43490 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
HPGDS O60760 2/20 0.46
TP53 P04637 2/20 0.43
GPR119 Q8TDV5 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL25993959 0.81 USP30 (0.36) HTTMAPTHPGDSTP53DDB1
SCHEMBL12354143 0.81 GPR119 (0.55) NAMPTMAPTKDM4ETHRBHPGDS
SCHEMBL29386809 0.81 GPR119 (0.55) NAMPTMAPTKDM4ETHRBHPGDS
SCHEMBL25993972 0.78 UCHL1 (0.41)
SCHEMBL4457404 0.78 NAMPT (0.48) HTTNAMPTMAPTKDM4ETHRB
SCHEMBL6530981 0.77 CHEK2 (0.58) HTTGPR119
SCHEMBL14636120 0.77 NAMPT (0.51) NAMPT
SCHEMBL1558412 0.77 NAMPT (0.54) NAMPTMAPTKDM4ETHRBGPR119
SCHEMBL30563607 0.77 GPR119 (0.65) NAMPTMAPTKDM4ETHRBTP53
SCHEMBL30673157 0.77 NAMPT (0.54) NAMPTMAPTKDM4ETHRBGPR119

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-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed