SCHEMBL5220949

SCHEMBL5220949

CC(C)COC(=O)N1CCC(Cc2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
GRIN2B Q13224 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
POLB P06746 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
SPR P35270 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL389296 0.85 GRIN2B (0.43) GRIN2BCYP2D6CYP2C9MEN1KMT2A
SCHEMBL4665129 0.82 GPR119 (0.43) PRMT5WDR77GRIN2BCYP2D6CYP2C9
SCHEMBL4036422 0.80 GPR119 (0.54) GPR119
SCHEMBL3396290 0.79 PRMT5 (0.47) PRMT5WDR77MEN1KMT2AKCNH2
SCHEMBL4666838 0.77 GRIN2B (0.44) GRIN2BKCNH2
SCHEMBL4957480 0.77 CYP46A1 (0.52) CYP2C9MEN1KMT2ACYP46A1SPR
SCHEMBL3397914 0.76 PRMT5 (0.45) PRMT5WDR77MEN1KMT2AKCNH2
SCHEMBL3402131 0.76 PPARG (0.42) PRMT5WDR77GRIN2BMEN1KMT2A
SCHEMBL16600250 0.76 SPR (0.50) CYP2C9MEN1KMT2ACYP46A1SPR
Hydrochloric Acid SCHEMBL3398254 0.75 PRMT5 (0.44) PRMT5WDR77MEN1KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789410-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-05-30 EP disclosed
WO-2006029906-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-03-23 WO disclosed