SCHEMBL27707196

SCHEMBL27707196

CC(C)(C)C(=O)ON1CCC(CCCCc2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM3 P20309 2/20 0.38
CYP19A1 P11511 2/20 0.38
NMT1 P30419 2/20 0.37
ACHE P22303 2/20 0.36
HSD11B1 P28845 1/20 0.36
FAAH O00519 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
HRH3 Q9Y5N1 3/20 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
SCHEMBL27719507 0.85 SPHK1 (0.40) KDM4EALDH1A1NMT1FAAHGPR119
SCHEMBL27687895 0.85 CHRM3 (0.42) CHRM3NMT1FAAHGPR119
SCHEMBL28769798 0.83 CYP19A1 (0.36) NAMPTALDH1A1CHRM3CYP19A1ACHE
SCHEMBL27719496 0.82 GPR119 (0.53) NMT1GPR119
SCHEMBL27740583 0.82 MAOA (0.46) ACHEGPR119
SCHEMBL27687968 0.82 FAAH (0.44) ACHEFAAH
SCHEMBL27707133 0.82 CYP19A1 (0.42) NAMPTALDH1A1CYP19A1ACHE
SCHEMBL389218 0.82 GPR119 (0.54) KDM4EFAAHGPR119
SCHEMBL27707144 0.81 CHRM3 (0.36) NAMPTKDM4EALDH1A1CHRM3CYP19A1
SCHEMBL27740578 0.81 NMT1 (0.37) KDM4EALDH1A1NMT1GPR119HRH3

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
CN-101123964-B G-protein coupled receptor (GPR116) agonists and pharmaceutical compositions comprising the same PROSIDION LTD 2012-11-28 CN disclosed
CN-101123964-A G-protein coupled receptor (GPR116) agonists and their use for the treatment of obesity and diabetes PROSIDION LTD (GB) 2008-02-13 CN disclosed