SCHEMBL6565317

SCHEMBL6565317

COC(=O)C(CC(=O)N(c1ccc(C#CCNc2ccc(C(=N)N)cc2)c(C)c1)C(C)C)NC(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.33
ITGA2B P08514 7/20 0.33
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL7677060 0.90 ITGB3 (0.32) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563248 0.89 SENP1 (0.31)
SCHEMBL6563641 0.89
SCHEMBL6565226 0.88 ITGB3 (0.34) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6565387 0.86 ITGB3 (0.35) ITGB3ITGA2BF2PRSS1
SCHEMBL6563063 0.86 ITGB3 (0.34) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563260 0.81 F10 (0.34) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6561891 0.79 ITGB3 (0.37) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563521 0.79
SCHEMBL6563661 0.78 F2 (0.37) ITGB3ITGA2BF2F10PRSS1

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed