SCHEMBL6563668

SCHEMBL6563668

CCOC(=O)COCc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
F10 P00742 9/20 0.37
PRSS1 P07477 5/20 0.37
ACACB O00763 1/20 0.35
RAB9A P51151 3/20 0.35
F2 P00734 5/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
PLG P00747 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL6561849 0.90 F10 (0.37) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL7670689 0.90 F10 (0.39) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL6561838 0.89 F10 (0.36) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL7675013 0.87 ACACB (0.34) ITGB3ITGA2BACACBRAB9ANPC1
SCHEMBL6563778 0.86 F10 (0.36) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL6561958 0.83 ACACB (0.49) F10PRSS1ACACBF2PLAU
SCHEMBL6565323 0.82 F7 (0.38) ITGB3ITGA2BF10PRSS1ACACB
SCHEMBL6565233 0.81 ACACB (0.39) ITGB3ITGA2BF10PRSS1ACACB
SCHEMBL6563220 0.80 HPGD (0.44) F10PRSS1ACACB
SCHEMBL6565351 0.80 F10 (0.44) F10PRSS1ACACBF2PLAU

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