SCHEMBL9252502

SCHEMBL9252502

COC(=O)CCNC(=O)c1nc(N2CCCCC2)c2nc(-c3ccc(C(=N)N)cc3)n(C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 4/20 0.37
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
F10 P00742 1/20 0.35
PIK3CD O00329 2/20 0.34
TP53 P04637 1/20 0.34
F2 P00734 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 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
CNR2 P34972 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
SCHEMBL9255921 0.92 ITGB3 (0.40) ITGB3ITGA2BF2F7F3
SCHEMBL9251469 0.87 TMPRSS15 (0.37) TMPRSS15ITGB3ITGA2BF10F2
SCHEMBL9252066 0.85 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BF10
SCHEMBL9571132 0.85 ITGB3 (0.36) TMPRSS15ITGB3ITGA2BF10
SCHEMBL9253812 0.85 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10F2
SCHEMBL9246322 0.85 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10F2
SCHEMBL9255320 0.83 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10
SCHEMBL9251312 0.78 TMPRSS15 (0.40) TMPRSS15ITGB3ITGA2BF10
SCHEMBL9256518 0.78 ITGB3 (0.40) ITGB3ITGA2BF2F7F3
SCHEMBL9251108 0.78 ITGB3 (0.40) ITGB3ITGA2B

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