SCHEMBL6565372

SCHEMBL6565372

CCOC(=O)COCC1CCCN1C(=O)c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33
F2 P00734 5/20 0.32
F10 P00742 4/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PIK3CA P42336 2/20 0.32

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
SCHEMBL6565845 0.92 F2 (0.36) ITGB3ITGA2BPRSS1HSD11B1F2
SCHEMBL6561984 0.91 MEN1 (0.40) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL6565523 0.89 ITGB3 (0.38) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL6563364 0.88 ITGB3 (0.36) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL7676439 0.87 HSD11B1 (0.32) ITGB3ITGA2BGAASMN1; SMN2HSD11B1
SCHEMBL6565424 0.84 ITGB3 (0.42) ITGB3ITGA2BPRSS1HSD11B1F2
SCHEMBL6564957 0.83 F2 (0.38) ITGB3ITGA2BPRSS1HSD11B1F2
SCHEMBL6565512 0.82 GAA (0.40) PRSS1GAAHSD11B1F2F10
SCHEMBL6562329 0.81 F2 (0.37) ITGB3ITGA2BPRSS1F2F10
SCHEMBL6565376 0.81 PRSS1 (0.35) ITGB3ITGA2BPLGPRSS1PRSS2

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