SCHEMBL14720686

SCHEMBL14720686

CC(C)(C)OC(=O)N1CCC(=Cc2ccc(Br)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
MKNK1 Q9BUB5 1/20 0.40
POLB P06746 1/20 0.40
F13A1 P00488 2/20 0.39
TGM2 P21980 2/20 0.39
TGM1 P22735 2/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 6/20 0.39
NR1H2 P55055 1/20 0.39
RORC P51449 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL31288438 0.86 GRM5 (0.49) GRM5MKNK1POLBESR2MEN1
SCHEMBL25391413 0.86 GRM5 (0.49) GRM5MKNK1POLBESR2MEN1
SCHEMBL14720478 0.83 GRM5 (0.44) GRM5F13A1TGM2TGM1MEN1
SCHEMBL14720896 0.81 GRM5 (0.46) GRM5MKNK1ESR2MEN1MAPT
SCHEMBL14720274 0.81 ALDH1A1 (0.39) GRM5POLBTSHRSMN1; SMN2LMNA
SCHEMBL15051069 0.81 GPR119 (0.53) GRM5POLBCKS1BSKP1SKP2
SCHEMBL28878298 0.79 GPR119 (0.45) GPR119
SCHEMBL23868372 0.79 GRM5 (0.43) GRM5MKNK1ESR2MAPTNR1H2
SCHEMBL28878297 0.79 GPR119 (0.45) GPR119
SCHEMBL21753276 0.79 GRM5 (0.52) GRM5POLBCKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed