SCHEMBL7077466

SCHEMBL7077466

CNC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(NCc3ccccc3)c12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 5/20 0.69
▸ SIGMAR1 Q99720 4/20 0.69
▸ TMEM97 Q5BJF2 2/20 0.69
▸ ADRA2C P18825 1/20 0.69
▸ OPRK1 P41145 1/20 0.69
▸ HTR6 P50406 1/20 0.69
▸ ADORA3 P0DMS8 4/20 0.62
▸ SLC29A1 Q99808 2/20 0.62
▸ TP53 P04637 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ ADK P55263 7/20 0.59
▸ HTR1D P28221 1/20 0.54

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 0.84 ADK (0.79) HTR2BSIGMAR1TMEM97ADRA2COPRK1
SCHEMBL7074340 0.81 SIGMAR1 (0.83) HTR2BSIGMAR1TMEM97ADRA2COPRK1
SCHEMBL7077959 0.80 SIGMAR1 (0.81) HTR2BSIGMAR1TMEM97ADRA2COPRK1
SCHEMBL7070318 0.79 HTR2B (0.69) HTR2BSIGMAR1TMEM97ADRA2COPRK1
SCHEMBL7070299 0.79 HTR2B (0.66) HTR2BSIGMAR1TMEM97ADRA2COPRK1
SCHEMBL8331212 0.79 ADK (0.71) HTR2BSIGMAR1TMEM97ADRA2COPRK1
N6-Benzyladenosine SCHEMBL472719 0.79 ADORA3 (0.91) ADORA3SLC29A1TP53TDP1
SCHEMBL16330689 0.78 ADK (0.72) ADORA3SLC29A1TP53TDP1ADK
SCHEMBL15477884 0.78 METTL3 (0.79) HTR2BSIGMAR1TMEM97ADRA2COPRK1
SCHEMBL15570446 0.78 METTL3 (0.79) HTR2BSIGMAR1TMEM97ADRA2COPRK1

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-2003051899-A1 DEAZAPURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS RIBAPHARM INC. (US) 2003-06-26 — — WO disclosed
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