SCHEMBL881808

SCHEMBL881808

Nc1cnc(-c2ccc(C3(N)CCC3)cn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.46
AKT1 P31749 3/20 0.37
FEN1 P39748 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL10156461 0.80 ALOX5AP (0.47) ALOX5APAKT1
SCHEMBL872730 0.79 ALOX5AP (0.45) ALOX5APFEN1PIK3CDPIK3R1SLC6A2
SCHEMBL10156248 0.77 ALOX5AP (0.51) ALOX5AP
SCHEMBL881810 0.77 AKT1 (0.38) ALOX5APAKT1
SCHEMBL881649 0.76 ALOX5AP (0.41) ALOX5APFEN1PIK3CDPIK3R1SLC6A2
SCHEMBL873672 0.75 ALOX5AP (0.42) ALOX5APFEN1PIK3CDPIK3R1SLC6A2
SCHEMBL881650 0.70 AKT1 (0.40) ALOX5APAKT1PIK3CD
SCHEMBL10155961 0.70 ALOX5AP (0.43) ALOX5AP
SCHEMBL3567997 0.67 AKT1 (0.38) AKT1
SCHEMBL882102 0.66 FEN1 (0.46) ALOX5APFEN1

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-2012040139-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 WO disclosed