SCHEMBL12427231

SCHEMBL12427231

CC(C)C(=O)N1CCC(CI)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 5/20 0.38
NAMPT P43490 1/20 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
SCHEMBL1753627 0.82 EPHX2 (0.53) MEN1ALDH1A1KMT2AFAAHL3MBTL1
SCHEMBL621434 0.82 MEN1 (0.44) MEN1ALDH1A1KMT2AFAAHL3MBTL1
SCHEMBL15730412 0.81 MEN1 (0.47) MEN1ALDH1A1KMT2AFAAHL3MBTL1
SCHEMBL6028911 0.81 MEN1 (0.43) MEN1ALDH1A1KMT2AFAAHL3MBTL1
SCHEMBL12413676 0.81 NCF1 (0.47) MEN1ALDH1A1KMT2AFAAHL3MBTL1
SCHEMBL3317367 0.81 MEN1 (0.43) MEN1ALDH1A1KMT2AFAAHL3MBTL1
SCHEMBL23188105 0.79 ITGB3 (0.51) MEN1ALDH1A1KMT2AFAAHL3MBTL1
SCHEMBL25924562 0.79 FAAH (0.45) MEN1ALDH1A1KMT2AFAAHL3MBTL1
SCHEMBL18513691 0.79 FAAH (0.48) MEN1ALDH1A1KMT2AFAAHL3MBTL1
SCHEMBL25737219 0.79 FAAH (0.48) MEN1ALDH1A1KMT2AFAAHL3MBTL1

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-2011101429-A1 PYRIDO[3,2-D]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed