SCHEMBL6565355

SCHEMBL6565355

CCOC(=O)CCN(C(=O)c1ccccc1)c1cc(C)c(C#CCOc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.42
F10 P00742 8/20 0.42
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
NQO2 P16083 1/20 0.40
LTA4H P09960 3/20 0.39
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL6563619 0.92 F2 (0.41) F2F10ITGB3ITGA2BNQO2
SCHEMBL6565338 0.88 F2 (0.36) F2F10ITGB3ITGA2BNQO2
SCHEMBL6562064 0.85 ADAM17 (0.43) F2F10LTA4H
SCHEMBL6563579 0.82 F2 (0.37) F2F10ITGB3ITGA2BPRSS1
SCHEMBL6563152 0.80 F2 (0.43) F2F10NQO2PRSS1PRSS2
SCHEMBL6563233 0.80 TMPRSS15 (0.38) F2ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6562325 0.77 PRSS1 (0.36) F2F10ITGB3ITGA2BPRSS1
SCHEMBL6563711 0.76 ADAM17 (0.47)
SCHEMBL6565497 0.75 PLAU (0.48) F2PRSS1PRSS2PRSS3
SCHEMBL6563644 0.73 F2 (0.45) 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