SCHEMBL3955003

SCHEMBL3955003

C#CC1(O)CCN(C(=O)OCC(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
RAB9A P51151 1/20 0.38
KIT P10721 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
RORC P51449 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL3956031 0.80 JAK2 (0.37) CYP2D6RAB9AKITJAK2JAK1
SCHEMBL6208321 0.78 L3MBTL1 (0.40) CYP2D6RAB9AKITJAK2JAK1
SCHEMBL3663186 0.76 CYP2D6 (0.42) CYP2D6RAB9AKITJAK2JAK1
SCHEMBL4074787 0.76 RAB9A (0.41) CYP2D6RAB9AKITJAK2JAK1
SCHEMBL926934 0.75 HRH2 (0.42) RAB9AKITHRH2HRH1MEN1
SCHEMBL26705603 0.75 RAB9A (0.40) CYP2D6RAB9AKITJAK2JAK1
SCHEMBL5407237 0.75 MEN1 (0.52) RAB9AKITL3MBTL1HRH2HRH1
SCHEMBL12233216 0.75 RAB9A (0.51) RAB9AKITL3MBTL1HRH2HRH1
SCHEMBL29269482 0.74 RAB9A (0.46) RAB9AKITJAK2JAK1L3MBTL1
SCHEMBL23551896 0.74 CYP2D6 (0.47) CYP2D6RAB9AKITJAK2JAK1

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
EP-1784410-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-07-15 EP disclosed
EP-1784410-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-05-16 EP disclosed
WO-2006020561-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-23 WO disclosed