SCHEMBL10240593

SCHEMBL10240593

Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCN6CCC(N)CC6)c5)n4)CCC3)cc2)cn1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.77
CYP2D6 P10635 2/20 0.71
CYP2C9 P11712 2/20 0.71
SLC6A3 Q01959 1/20 0.59

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
SCHEMBL10240555 0.92 ALOX5AP (0.83) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240402 0.91 ALOX5AP (0.83) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240788 0.91 ALOX5AP (0.77) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL725057 0.87 ALOX5AP (1.00) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240659 0.86 ALOX5AP (0.72) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240590 0.84 ALOX5AP (0.77) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240549 0.83 ALOX5AP (1.00) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240381 0.83 ALOX5AP (0.82) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10240478 0.83 ALOX5AP (1.00) ALOX5APCYP2D6CYP2C9SLC6A3
SCHEMBL10242488 0.83 ALOX5AP (0.78) 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