SCHEMBL9251469

SCHEMBL9251469

COC(=O)CCNC(=O)c1nc(N2CCCCC2)c2c(n1)nc(-c1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 5/20 0.37
ITGB3 P05106 7/20 0.34
ITGA2B P08514 7/20 0.34
F2 P00734 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
SCN9A Q15858 1/20 0.34
TMPRSS2 O15393 1/20 0.33
HTR1D P28221 1/20 0.33
SLC6A4 P31645 1/20 0.33
F10 P00742 1/20 0.33
POLB P06746 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MDM2 Q00987 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
SCHEMBL9256518 0.92 ITGB3 (0.40) ITGB3ITGA2BF2F7F3
SCHEMBL9252502 0.87 TMPRSS15 (0.37) TMPRSS15ITGB3ITGA2BF2F7
SCHEMBL9251162 0.85 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BF10
SCHEMBL9256102 0.85 ITGB3 (0.37) TMPRSS15ITGB3ITGA2BF10
SCHEMBL9253863 0.85 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF2F10
SCHEMBL9255926 0.83 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10
SCHEMBL9251097 0.78 TMPRSS15 (0.40) TMPRSS15ITGB3ITGA2BF10
SCHEMBL9255921 0.78 ITGB3 (0.40) ITGB3ITGA2BF2F7F3
SCHEMBL9255743 0.78 ITGB3 (0.40) TMPRSS15ITGB3ITGA2B
SCHEMBL9251145 0.77 MAPT (0.37) TMPRSS15ITGB3ITGA2BNPSR1

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed