SCHEMBL6563260

SCHEMBL6563260

Cc1cc(N(C(=O)CC(N)C(=O)O)C(C)C)ccc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.34
F7 P08709 4/20 0.34
F3 P13726 4/20 0.34
PRSS1 P07477 4/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
ITGB3 P05106 5/20 0.33
ITGA2B P08514 5/20 0.33
F2 P00734 5/20 0.32
PLAU P00749 4/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 1/20 0.31
HPN P05981 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
SCHEMBL6563063 0.91 ITGB3 (0.34) F10F7F3PRSS1PRSS2
SCHEMBL6562025 0.89 ITGB3 (0.36) F10F7F3PRSS1PRSS2
SCHEMBL6561866 0.88 ITGB3 (0.37) F10ITGB3ITGA2BF2
SCHEMBL6563661 0.84 F2 (0.37) F10PRSS1ITGB3ITGA2BF2
SCHEMBL6565989 0.83 ITGB3 (0.36) F10F7F3PRSS1ITGB3
SCHEMBL6565317 0.81 ITGB3 (0.33) F10PRSS1ITGB3ITGA2BF2
SCHEMBL6561891 0.80 ITGB3 (0.37) F10F7F3PRSS1PRSS2
SCHEMBL6563357 0.80 ITGB3 (0.36) F10F7F3PRSS1PRSS2
SCHEMBL6561895 0.80 ITGB3 (0.35) F10F7F3PRSS1PRSS2
SCHEMBL6565387 0.79 ITGB3 (0.35) PRSS1ITGB3ITGA2BF2

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