SCHEMBL6565922

SCHEMBL6565922

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1N(C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.39
F3 P13726 5/20 0.39
EGLN1 Q9GZT9 3/20 0.39
F2 P00734 8/20 0.38
F10 P00742 4/20 0.38
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
PLG P00747 2/20 0.37
SOST Q9BQB4 1/20 0.36

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
SCHEMBL6563363 0.90 F2 (0.38) F7F3F2F10ITGB3
SCHEMBL6563600 0.88 F7 (0.39) F7F3EGLN1F2F10
SCHEMBL4250057 0.88 ITGB3 (0.38) F7F3EGLN1F2F10
SCHEMBL7678053 0.85 ITGB3 (0.36) F7EGLN1F2F10ITGB3
SCHEMBL7674133 0.83 ITGB3 (0.36) F7EGLN1F2F10ITGB3
SCHEMBL6563740 0.83 F7 (0.37) F7EGLN1F2F10ITGB3
SCHEMBL6563647 0.83 F7 (0.36) F7F3F2F10ITGB3
SCHEMBL6565989 0.82 ITGB3 (0.36) F7F3EGLN1F2F10
SCHEMBL6563595 0.79 F7 (0.38) F7EGLN1F2F10ITGB3
SCHEMBL6563086 0.79 F2 (0.39) F7F2F10ITGB3ITGA2B

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