SCHEMBL3397914

SCHEMBL3397914

CC(C)COC(=O)N1CCC(Cc2cccc(-c3cccc(CN)c3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
POLB P06746 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
MGLL Q99685 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
Hydrochloric Acid SCHEMBL3398254 0.99 PRMT5 (0.44) PRMT5WDR77MEN1KMT2APPARG
SCHEMBL3402131 0.90 PPARG (0.42) PRMT5WDR77MEN1KMT2APPARG
SCHEMBL3396290 0.84 PRMT5 (0.47) PRMT5WDR77MEN1KMT2AKCNH2
SCHEMBL1363667 0.83 KDM4E (0.48) F2F10PLGST14
SCHEMBL3402093 0.83 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1MGLLALDH1A1
Hydrochloric Acid SCHEMBL1362705 0.82 KDM4E (0.47) F2F10PLGST14
SCHEMBL12062875 0.82 MGLL (0.42) L3MBTL1F2F10PLGST14
SCHEMBL1364179 0.81 FAAH (0.47) MEN1KMT2APOLBMGLL
SCHEMBL3400356 0.79 MGLL (0.49) PRMT5WDR77PPARGPPARAHRH3
SCHEMBL3399223 0.77 PRMT5 (0.42) PRMT5WDR77MEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed