SCHEMBL11121799

SCHEMBL11121799

Nc1cc2c(ncn2[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)c(N)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 7/20 0.59
▸ HTR1A P08908 1/20 0.55
▸ BCHE P06276 1/20 0.49
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ HSPA5 P11021 1/20 0.40
▸ PTPN1 P18031 4/20 0.38
▸ CDC25B P30305 4/20 0.38
▸ PTPN2 P17706 2/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PTPN11 Q06124 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NT5E P21589 1/20 0.38

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
SCHEMBL6306348 0.92 PDE2A (0.61) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL6306351 0.92 PDE2A (0.61) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL11126005 0.87 PDE2A (0.56) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL11227449 0.85 HTR1A (0.55) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL8764444 0.84 PDE2A (0.70) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL750344 0.83 PDE2A (0.72) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL11123492 0.83 HTR1A (0.55) PDE2AHTR1ABCHEPTPN1CDC25B
SCHEMBL11123141 0.83 HTR1A (0.59) PDE2AHTR1ABCHEPTPN1CDC25B
SCHEMBL5961364 0.81 PDE2A (0.64) PDE2AHTR1ABCHEADORA2AADORA2B
SCHEMBL11427985 0.81 PDE2A (0.64) PDE2AHTR1ABCHEADORA2AADORA2B

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
EP-0043722-B1 BETA-D-ARABINOFURANOSYLIMIDAZO (4,5-C)PYRIDINE COMPOUNDS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1984-05-23 — — EP disclosed
US-4315000-A β-D-Arabinofuranosylimidazo(4,5-c)pyridine compounds and methods for their production WARNER-LAMBERT COMPANY (US) 1982-02-09 — — US disclosed
EP-0043722-A1 Beta-D-Arabinofuranosylimidazo (4,5-c)pyridine compounds and processes for their production WARNER-LAMBERT COMPANY (US) 1982-01-13 — — EP disclosed
Send feedback