SCHEMBL20477154

SCHEMBL20477154

N#C[C@@]1(c2ccc3c(N)ncnn23)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.35
▸ TMPRSS2 O15393 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HSPA5 P11021 1/20 0.33
▸ PTPN1 P18031 4/20 0.32
▸ CDC25B P30305 4/20 0.32
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL12243178 1.00 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL20553048 1.00 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL27086511 1.00 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL29727834 1.00 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL17712276 1.00 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
Maleic Acid SCHEMBL20552110 0.94 TMPRSS2 (0.36) PDE2ATMPRSS2HSPA5PTPN1CDC25B
SCHEMBL24158032 0.92 PDE2A (0.38) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL22646505 0.92 PDE2A (0.38) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL14817042 0.92 HSPA5 (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL12393267 0.91 PDE2A (0.35) PDE2AHTR1AHSPA5PTPN1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3366295-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2018-08-29 — — EP disclosed
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