SCHEMBL6562445

SCHEMBL6562445

N=C(N)c1ccc(NCC#Cc2ccc(C(=O)N3CCCC3)c(CC(=O)NCC(=O)O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.40
F2 P00734 6/20 0.40
EGLN1 Q9GZT9 5/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
F7 P08709 2/20 0.37
F3 P13726 2/20 0.37
PRSS1 P07477 4/20 0.37
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ACACB O00763 1/20 0.35

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
SCHEMBL6565323 0.91 F7 (0.38) F10F2ITGB3ITGA2BF7
SCHEMBL6563778 0.90 F10 (0.36) F10F2ITGB3ITGA2BF7
SCHEMBL6565233 0.86 ACACB (0.39) F10F2ITGB3ITGA2BF7
SCHEMBL6561849 0.84 F10 (0.37) F10F2ITGB3ITGA2BF7
SCHEMBL7670689 0.84 F10 (0.39) F10F2EGLN1ITGB3ITGA2B
SCHEMBL6561958 0.83 ACACB (0.49) F10F2F7F3PRSS1
SCHEMBL6565351 0.82 F10 (0.44) F10F2EGLN1F7F3
SCHEMBL6563220 0.81 HPGD (0.44) F10PRSS1ACACB
SCHEMBL6563597 0.80 F10 (0.38) F10F2ITGB3ITGA2BF7
SCHEMBL6561838 0.79 F10 (0.36) F10F2ITGB3ITGA2BPRSS1

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