SCHEMBL9259952

SCHEMBL9259952

CCC(=O)Oc1nccc(CC)c1NC(=O)C1CCCCC1C(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
KLK5 Q9Y337 1/20 0.40
F2 P00734 6/20 0.38
TMPRSS15 P98073 1/20 0.37
F7 P08709 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
LMNA P02545 1/20 0.36
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9259956 0.84 LMNA (0.37) CYP2C19KDM4EHTTSMN1; SMN2LMNA
SCHEMBL9425991 0.84 KLK5 (0.40) CYP2C19KLK5F2TMPRSS15F7
SCHEMBL9260001 0.77 F2 (0.37) KLK5F2TMPRSS15F7PLG
SCHEMBL6985069 0.72 TMPRSS15 (0.36) TMPRSS15PRSS1
SCHEMBL6978248 0.71 ITGB3 (0.35) TMPRSS15
SCHEMBL7361739 0.71 CYP2C19 (0.67) CYP2C19KLK5F2KDM4EHTT
SCHEMBL9264762 0.69 GSK3B (0.39) KLK5F2TMPRSS15F7PLG
SCHEMBL9425716 0.69 F2 (0.37) KLK5F2TMPRSS15F7HTT
SCHEMBL9426346 0.68 F2 (0.43) CYP2C19KLK5F2KDM4EHTT
SCHEMBL6979099 0.67 ITGB3 (0.40) KLK5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed