SCHEMBL6563778

SCHEMBL6563778

CCOC(=O)CNC(=O)Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.36
PRSS1 P07477 4/20 0.36
F2 P00734 3/20 0.35
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
ACACB O00763 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
RAB9A P51151 1/20 0.34
AVPR2 P30518 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 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 0.92 F10 (0.37) F10PRSS1F2ITGB3ITGA2B
SCHEMBL6562445 0.90 F10 (0.40) F10PRSS1F2ITGB3ITGA2B
SCHEMBL6561934 0.88 ACACB (0.33) ITGB3ITGA2BACACBRAB9AAVPR2
SCHEMBL6561838 0.87 F10 (0.36) F10PRSS1F2ITGB3ITGA2B
SCHEMBL6563668 0.86 TPSAB1 (0.38) F10PRSS1F2ITGB3ITGA2B
SCHEMBL6565323 0.84 F7 (0.38) F10PRSS1F2ITGB3ITGA2B
SCHEMBL6561958 0.81 ACACB (0.49) F10PRSS1F2ACACBPRSS2
SCHEMBL6565093 0.80 ACACB (0.35) F10ITGB3ITGA2BACACBRAB9A
SCHEMBL6563364 0.80 ITGB3 (0.36) PRSS1F2ITGB3ITGA2BRAB9A
SCHEMBL6565233 0.80 ACACB (0.39) F10PRSS1F2ITGB3ITGA2B

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