SCHEMBL8333496

SCHEMBL8333496

OC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCc4ccccn4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 15/20 0.71
▸ SIGMAR1 Q99720 2/20 0.61
▸ HTR2B P41595 2/20 0.61
▸ ADRA2C P18825 1/20 0.61
▸ OPRK1 P41145 1/20 0.61
▸ HTR6 P50406 1/20 0.61
▸ TMEM97 Q5BJF2 1/20 0.61

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
SCHEMBL7070066 0.89 ADK (0.79) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL8331350 0.88 ADK (0.69) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL6236072 0.88 ADK (0.69) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL8331212 0.88 ADK (0.71) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL8331313 0.86 ADK (0.81) ADK
SCHEMBL8332977 0.85 ADORA3 (0.69) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL17800859 0.84 ADK (0.80) ADK
SCHEMBL8974980 0.83 ADK (0.71) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL8332893 0.83 ADK (1.00) ADK
SCHEMBL8330336 0.82 ADK (0.89) ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684953-A4 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES. GENSIA INC (US) 1999-12-22 — — EP disclosed
US-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 — — US disclosed
EP-0684953-A1 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES GENSIA, INC. (US) 1995-12-06 — — EP disclosed
WO-1994018215-A1 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES GENSIA, INC. (US) 1994-08-18 — — WO disclosed
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