SCHEMBL6563301

SCHEMBL6563301

CCOC(=O)CCN(C(=O)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C)c1ccnn1CC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
F2 P00734 18/20 0.36
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
NR1I2 O75469 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
SLC6A2 P23975 1/20 0.33
AGTR1 P30556 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL6565386 0.93 F2 (0.43) NQO2F2
SCHEMBL6563344 0.88 NQO2 (0.33) NQO2
SCHEMBL6565289 0.79 NQO2 (0.39) NQO2F2ITGB3ITGA2B
SCHEMBL6562387 0.78 NQO2 (0.51) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL6564369 0.76 F2 (0.38) F2
SCHEMBL6562343 0.75 F2 (0.54) NQO2F2
SCHEMBL6561682 0.75 NQO2 (0.39) NQO2F2ITGB3ITGA2B
SCHEMBL6563285 0.74 ITGB3 (0.39) NQO2F2ITGB3ITGA2B
SCHEMBL7672248 0.74 F2 (0.40) F2
SCHEMBL6562044 0.74 NQO2 (0.37) NQO2F2ITGB3ITGA2B

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed