SCHEMBL13648975

SCHEMBL13648975

CNc1ncnn2c([C@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3C)cnc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.38
▸ HSPA5 P11021 1/20 0.38
▸ PTPN1 P18031 9/20 0.37
▸ CDC25B P30305 8/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ PTPN2 P17706 5/20 0.35
▸ PTPN6 P29350 4/20 0.35
▸ PTPN11 Q06124 4/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ TACR2 P21452 1/20 0.33
▸ GJB2 P29033 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 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
SCHEMBL29397763 0.82 PDE2A (0.42) HTR1APTPN1CDC25BPDE2ABCHE
SCHEMBL22569895 0.82 PDE2A (0.42) HTR1APTPN1CDC25BPDE2ABCHE
SCHEMBL29398378 0.81 HTR1A (0.38) HTR1APDE2ABCHECA1CA2
SCHEMBL22569957 0.81 HTR1A (0.38) HTR1APDE2ABCHECA1CA2
SCHEMBL12253821 0.80 HSPA5 (0.35) HTR1AHSPA5PTPN1CDC25BPDE2A
SCHEMBL19343920 0.80 HTR1A (0.41) HTR1AHSPA5PTPN1CDC25BPDE2A
SCHEMBL25379329 0.79 PDE2A (0.44) HTR1AHSPA5PTPN1CDC25BPDE2A
SCHEMBL18490316 0.79 PDE2A (0.44) HTR1AHSPA5PTPN1CDC25BPDE2A
SCHEMBL17106846 0.79 PDE2A (0.44) HTR1AHSPA5PTPN1CDC25BPDE2A
SCHEMBL17106844 0.79 PDE2A (0.44) HTR1AHSPA5PTPN1CDC25BPDE2A

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
WO-2009132123-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 — — WO disclosed
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