SCHEMBL10240575

SCHEMBL10240575

CC(C)(N)NC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.89
CYP2D6 P10635 2/20 0.74
CYP2C9 P11712 2/20 0.74
SLC6A3 Q01959 1/20 0.71

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
SCHEMBL724835 0.94 ALOX5AP (1.00) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL11972598 0.91 ALOX5AP (0.84) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10241338 0.90 ALOX5AP (0.83) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240499 0.89 ALOX5AP (0.84) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL725310 0.89 ALOX5AP (0.84) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240379 0.88 ALOX5AP (0.85) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10242386 0.88 ALOX5AP (1.00) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240400 0.87 ALOX5AP (0.78) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240506 0.87 ALOX5AP (0.78) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240539 0.87 ALOX5AP (1.00) ALOX5APCYP2D6CYP2C9SLC6A3

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