SCHEMBL8949279

SCHEMBL8949279

COC(=O)[C@H]1CC[C@H](N(C)C(=O)c2cc(-c3ccc(C(=N)N)cc3)nn(C)c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.38
F10 P00742 1/20 0.38
TMPRSS15 P98073 4/20 0.37
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
EGLN1 Q9GZT9 1/20 0.34
BRD4 O60885 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
HRH3 Q9Y5N1 1/20 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
SCHEMBL8949284 1.00 F2 (0.38) F2F10TMPRSS15ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949003 0.99 F2 (0.37) F2F10TMPRSS15ITGB3ITGA2B
SCHEMBL8949134 0.90 ITGB3 (0.38) F2F10ITGB3ITGA2BBRD4
SCHEMBL8949140 0.90 ITGB3 (0.38) F2F10ITGB3ITGA2BBRD4
SCHEMBL8949034 0.84 CFTR (0.42) F2F10TMPRSS15PLGPRSS1
SCHEMBL8949131 0.84 CFTR (0.42) F2F10TMPRSS15PLGPRSS1
SCHEMBL8949158 0.82 EGLN1 (0.34) EGLN1PDE10AHRH3
Hydrochloric Acid SCHEMBL8948990 0.82 F10 (0.34) F2F10TMPRSS15ITGB3ITGA2B
SCHEMBL8949242 0.82 POLB (0.39) F2TMPRSS15ITGB3ITGA2B
SCHEMBL8949244 0.82 POLB (0.39) F2TMPRSS15ITGB3ITGA2B

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-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP claimed
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed