SCHEMBL7677445

SCHEMBL7677445

CCC(=O)N(CC(=O)NCC(=O)O)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
F2 P00734 10/20 0.35
EGLN1 Q9GZT9 3/20 0.33
F7 P08709 4/20 0.31
F10 P00742 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 1/20 0.31
F3 P13726 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL6561948 0.92 ITGB3 (0.36) ITGB3ITGA2BF2F7F10
SCHEMBL6565268 0.91 F2 (0.38) ITGB3ITGA2BF2F7F10
SCHEMBL6563331 0.87 F2 (0.43) ITGB3ITGA2BF2
SCHEMBL6563705 0.86 PRSS1 (0.35) ITGB3ITGA2BF2F7F10
SCHEMBL7675334 0.83 ITGB3 (0.38) ITGB3ITGA2BF2EGLN1F7
SCHEMBL6565520 0.82 ITGB3 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6561902 0.81 F2 (0.40) ITGB3ITGA2BF2
SCHEMBL6562044 0.81 NQO2 (0.37) ITGB3ITGA2BF2F7F10
SCHEMBL7676372 0.81 F2 (0.43) F2
SCHEMBL4250057 0.80 ITGB3 (0.38) ITGB3ITGA2BF2EGLN1F7

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
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed