SCHEMBL6565520

SCHEMBL6565520

CCC(=O)NC(=O)CN(CC(=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 8/20 0.36
ITGA2B P08514 8/20 0.36
F2 P00734 6/20 0.34
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 1/20 0.31
PRSS1 P07477 2/20 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
SCHEMBL6563659 0.91 ITGB3 (0.37) ITGB3ITGA2BF2F10PLAU
SCHEMBL6565268 0.84 F2 (0.38) ITGB3ITGA2BF2F10PLG
SCHEMBL7677445 0.82 ITGB3 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563331 0.80 F2 (0.43) ITGB3ITGA2BF2
SCHEMBL6565342 0.79 ITGB3 (0.38) ITGB3ITGA2BF2F10PLG
SCHEMBL6561902 0.78 F2 (0.40) ITGB3ITGA2BF2
SCHEMBL6564229 0.78 F2 (0.43) ITGB3ITGA2BF2F10PLG
SCHEMBL6563705 0.78 PRSS1 (0.35) ITGB3ITGA2BF2F10PLG
SCHEMBL7676372 0.78 F2 (0.43) F2
SCHEMBL4250003 0.77 ITGB3 (0.37) ITGB3ITGA2BF2F10PLG

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
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed