SCHEMBL1840508

SCHEMBL1840508

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.42
RAB9A P51151 1/20 0.42
FAAH O00519 2/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
GAA P10253 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL1841296 0.90 RAB9A (0.44) GPR119RAB9AFAAHTHRBATM
SCHEMBL27747836 0.86 RAB9A (0.43) GPR119RAB9AFAAHTHRBATM
SCHEMBL1162894 0.84 RAB9A (0.47) GPR119RAB9ATHRBATML3MBTL1
SCHEMBL1692765 0.82 RAB9A (0.46) GPR119RAB9AFAAHTHRBATM
SCHEMBL3132481 0.81 RAB9A (0.44) GPR119RAB9AFAAHTHRBATM
SCHEMBL8554848 0.80 RAB9A (0.45) RAB9ATHRBATML3MBTL1HRH3
SCHEMBL1693216 0.79 RAB9A (0.48) GPR119RAB9ATHRBATML3MBTL1
SCHEMBL10089204 0.79 RAB9A (0.48) GPR119RAB9ATHRBATML3MBTL1
SCHEMBL4977215 0.79 RAB9A (0.48) GPR119RAB9ATHRBATML3MBTL1
SCHEMBL3128112 0.79 RAB9A (0.43) GPR119RAB9AFAAHTHRBATM

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-2320905-A1 NOVEL ADENINE DERIVATIVES Smithkline Beecham Corporation (US) 2011-05-18 EP disclosed
WO-2010018134-A1 NOVEL ADENINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed