SCHEMBL5225927

SCHEMBL5225927

CC(C)COC(=O)N1CCC(CC2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.46
CHRM2 P08172 3/20 0.45
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.38
CHRM4 P08173 2/20 0.38
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL5226008 0.83 RAB9A (0.44) CHRM1CHRM2RAB9ATHRBATM
SCHEMBL22852237 0.83 MAPK1 (0.53) CHRM1CHRM2RAB9ATP53TDP1
SCHEMBL5219039 0.82 RAB9A (0.43) CHRM1CHRM2RAB9ATHRBATM
SCHEMBL5221871 0.81 RAB9A (0.43) CHRM1CHRM2RAB9ATHRBATM
SCHEMBL5217684 0.81 RAB9A (0.43) CHRM1CHRM2RAB9ATHRBATM
SCHEMBL5221770 0.80 RAB9A (0.42) RAB9ACHRM4GAASMN1; SMN2
SCHEMBL10089204 0.78 RAB9A (0.48) CHRM1CHRM2RAB9ATHRBATM
SCHEMBL1693216 0.78 RAB9A (0.48) CHRM1CHRM2RAB9ACYP3A4THRB
SCHEMBL4977215 0.78 RAB9A (0.48) CHRM1CHRM2RAB9ATHRBATM
SCHEMBL4036153 0.78 HPGD (0.50) CHRM1KDM4EHRH3SMN1; SMN2

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