SCHEMBL6563661

SCHEMBL6563661

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.37
F10 P00742 13/20 0.37
PRSS1 P07477 9/20 0.37
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
MRGPRX1 Q96LB2 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
SCHEMBL6561866 0.91 ITGB3 (0.37) F2F10ITGB3ITGA2B
SCHEMBL6563063 0.86 ITGB3 (0.34) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6565226 0.86 ITGB3 (0.34) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6563260 0.84 F10 (0.34) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6561891 0.81 ITGB3 (0.37) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6565989 0.80 ITGB3 (0.36) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6561947 0.80 F10 (0.36) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6565387 0.79 ITGB3 (0.35) F2PRSS1ITGB3ITGA2B
SCHEMBL6565187 0.78 F10 (0.34) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6565317 0.78 ITGB3 (0.33) F2F10PRSS1ITGB3ITGA2B

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