SCHEMBL27748869

SCHEMBL27748869

CC(C(=O)C1=CCCC=C1)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
SLC6A2 P23975 7/20 0.46
SLC6A3 Q01959 7/20 0.46
CHRNB4 P30926 6/20 0.46
CHRNA3 P32297 6/20 0.46
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
CHRNA1 P02708 4/20 0.46
CHRNG P07510 4/20 0.46
CHRNB1 P11230 4/20 0.46
CHRND Q07001 4/20 0.46
ALDH1A1 P00352 4/20 0.44
SLC6A4 P31645 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL10160834 0.75 FFAR1 (0.33) KDM4EGAAMEN1KMT2APOLB
SCHEMBL10304547 0.70 HPGD (0.44) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL5144766 0.70 MAOB (0.46) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL22644192 0.69 HTR1B (0.33)
SCHEMBL22494158 0.69
SCHEMBL12462690 0.68 MAOB (0.44) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL17348912 0.68 MAOB (0.44) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL903415 0.68
SCHEMBL14850491 0.68 MAOB (0.44) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL17619515 0.68

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
CN-101360737-A 2-amino-5-piperidinylimidazolone compounds and their use for beta secretase modulation WYETH CORP (US) 2009-02-04 CN disclosed