SCHEMBL10242401

SCHEMBL10242401

Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)N6CCNCC6)c5)n4)CCC3)cc2)cn1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.77
SLC6A3 Q01959 1/20 0.70
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 2/20 0.66

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
SCHEMBL10240565 0.94 ALOX5AP (0.81) ALOX5APSLC6A3CYP2D6CYP2C9
SCHEMBL10240373 0.93 ALOX5AP (0.80) ALOX5APSLC6A3CYP2D6CYP2C9
SCHEMBL10240780 0.91 ALOX5AP (0.78) ALOX5APSLC6A3CYP2D6CYP2C9
SCHEMBL10241308 0.91 ALOX5AP (0.77) ALOX5APSLC6A3CYP2D6CYP2C9
SCHEMBL10240509 0.89 ALOX5AP (0.74) ALOX5APSLC6A3CYP2D6CYP2C9
SCHEMBL10240781 0.88 ALOX5AP (0.80) ALOX5APSLC6A3CYP2D6CYP2C9
SCHEMBL10240566 0.87 ALOX5AP (0.73) ALOX5APSLC6A3CYP2D6CYP2C9
SCHEMBL10242386 0.87 ALOX5AP (1.00) ALOX5APSLC6A3CYP2D6CYP2C9
SCHEMBL10240379 0.86 ALOX5AP (0.85) ALOX5APSLC6A3CYP2D6CYP2C9
SCHEMBL10240536 0.85 ALOX5AP (1.00) ALOX5APSLC6A3CYP2D6CYP2C9

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-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 WO disclosed