SCHEMBL6563644

SCHEMBL6563644

CCOC(=O)CCC(=O)N(Cc1ccccc1)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.45
F10 P00742 13/20 0.45
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
NQO2 P16083 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PRSS1 P07477 4/20 0.35
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34

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
SCHEMBL6564165 0.92 F2 (0.41) F2F10ITGB3ITGA2BNQO2
SCHEMBL6563285 0.90 ITGB3 (0.39) F2F10ITGB3ITGA2BNQO2
SCHEMBL6561682 0.88 NQO2 (0.39) F2F10ITGB3ITGA2BNQO2
SCHEMBL6563541 0.86 PTGES (0.34) F2F10ITGB3ITGA2BSMN1; SMN2
SCHEMBL6563607 0.83 ITGB3 (0.40) F2F10ITGB3ITGA2BNQO2
SCHEMBL6561902 0.83 F2 (0.40) F2ITGB3ITGA2B
SCHEMBL6562287 0.81 F2 (0.41) F2ITGB3ITGA2B
SCHEMBL6562361 0.81 F2 (0.40) F2F10ITGB3ITGA2BNQO2
SCHEMBL7676372 0.81 F2 (0.43) F2
SCHEMBL6563633 0.80 NQO2 (0.37) F2F10ITGB3ITGA2BNQO2

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