SCHEMBL3396290

SCHEMBL3396290

CC(C)COC(=O)N1CCC(Cc2cccc(Br)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
MGLL Q99685 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 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
SCHEMBL3397914 0.84 PRMT5 (0.45) PRMT5WDR77MEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL3398254 0.83 PRMT5 (0.44) PRMT5WDR77MEN1KMT2AKCNH2
SCHEMBL3399223 0.81 PRMT5 (0.42) PRMT5WDR77MEN1KMT2AKCNH2
SCHEMBL1363304 0.81 KDM4E (0.51)
SCHEMBL4054843 0.81 KDM4E (0.56) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL3399260 0.80 GPR119 (0.47) MEN1KMT2AHRH3
SCHEMBL27803883 0.79 TACR3 (0.51) MEN1KMT2A
SCHEMBL5220949 0.79 PRMT5 (0.47) PRMT5WDR77MEN1KMT2AKCNH2
SCHEMBL4966879 0.77 CHRM2 (0.46) MEN1KMT2AKCNH2L3MBTL1
SCHEMBL3402131 0.77 PPARG (0.42) PRMT5WDR77MEN1KMT2AMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
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-2249830-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-2009100170-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
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed