SCHEMBL14039002

SCHEMBL14039002

Nc1ncnn2c([C@]3(N)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.37
▸ HTR1A P08908 1/20 0.35
▸ HSPA5 P11021 2/20 0.35
▸ PTPN1 P18031 6/20 0.34
▸ CDC25B P30305 6/20 0.34
▸ PTPN2 P17706 2/20 0.33
▸ PTPN6 P29350 2/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ SSTR1 P30872 1/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SSTR3 P32745 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ GJB2 P29033 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
SCHEMBL12393257 0.90 PDE2A (0.37) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL18636443 0.90 PDE2A (0.37) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL27086454 0.89 PDE2A (0.37) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL12243141 0.89 PDE2A (0.37) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL31063739 0.89 PDE2A (0.37) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL12393373 0.89 PDE2A (0.37) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL23685928 0.87 PDE2A (0.36) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL12393377 0.86 PTPN1 (0.36) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL25826686 0.86 PDE2A (0.36) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL12393251 0.86 HSPA5 (0.37) 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
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
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