SCHEMBL3917828

SCHEMBL3917828

CC(C)COC(=O)N1CCN(c2cccc3cc(I)cnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HRH1 P35367 3/20 0.39
SLC6A15 Q9H2J7 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 2/20 0.38
HTR6 P50406 2/20 0.38
HTT P42858 1/20 0.38
SCN9A Q15858 1/20 0.38
RET P07949 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL5698823 0.84 SMN1; SMN2 (0.41) MAPTALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL6472002 0.84 HTR2A (0.48) MAPTALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL520960 0.83 CKS1B (0.49) MAPTSMN1; SMN2MEN1POLBKMT2A
SCHEMBL3917775 0.82 SMN1; SMN2 (0.47) MAPTALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL4800403 0.82 CYP1A2 (0.42) MAPTALDH1A1SMN1; SMN2L3MBTL1HRH1
SCHEMBL3916322 0.82 HRH1 (0.45) MAPTALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL5757481 0.81 LMNA (0.47) MAPTALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL5698822 0.81 IDE (0.40) MAPTALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL4386582 0.80 HTR6 (0.67) MAPTALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL5758622 0.80 HTT (0.44) MAPTALDH1A1GAASMN1; SMN2MAPK1

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-2027108-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE Glaxo Group Limited (GB) 2009-02-25 EP disclosed
WO-2007135081-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LIMITED (GB) 2007-11-29 WO disclosed