SCHEMBL727377

SCHEMBL727377

CN(C)N(OC(=O)c1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1)c1ncc(-c2ccc(C3(c4noc(N)n4)CCC3)cc2)cn1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.63

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
SCHEMBL10242412 0.80 ALOX5AP (0.69) ALOX5AP
SCHEMBL10242443 0.80 ALOX5AP (1.00) ALOX5AP
SCHEMBL10240514 0.78 ALOX5AP (0.71) ALOX5AP
SCHEMBL10242413 0.76 ALOX5AP (0.67) ALOX5AP
SCHEMBL10241351 0.75 ALOX5AP (1.00) ALOX5AP
SCHEMBL10241288 0.74 ALOX5AP (0.66) ALOX5AP
SCHEMBL10240640 0.73 ALOX5AP (0.83) ALOX5AP
SCHEMBL10241345 0.71 ALOX5AP (0.69) ALOX5AP
SCHEMBL10240666 0.71 ALOX5AP (0.74) ALOX5AP
SCHEMBL10240725 0.70 ALOX5AP (0.89) ALOX5AP

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-2609092-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-07-03 EP disclosed
WO-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 WO disclosed