SCHEMBL7070066

SCHEMBL7070066

OC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 13/20 0.79
▸ SIGMAR1 Q99720 3/20 0.75
▸ HTR2B P41595 3/20 0.75
▸ ADRA2C P18825 1/20 0.75
▸ OPRK1 P41145 1/20 0.75
▸ HTR6 P50406 1/20 0.75
▸ TMEM97 Q5BJF2 1/20 0.75
▸ TP53 P04637 1/20 0.68
▸ ADORA3 P0DMS8 1/20 0.68
▸ SLC29A1 Q99808 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68

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
SCHEMBL8331212 0.94 ADK (0.71) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL8332977 0.92 ADORA3 (0.69) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL7070318 0.89 HTR2B (0.69) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL8333496 0.89 ADK (0.71) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL17800859 0.87 ADK (0.80) ADK
SCHEMBL8332893 0.86 ADK (1.00) ADK
SCHEMBL7074340 0.86 SIGMAR1 (0.83) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL7077959 0.84 SIGMAR1 (0.81) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL15570446 0.84 METTL3 (0.79) ADKSIGMAR1HTR2BADRA2COPRK1
SCHEMBL15477884 0.84 METTL3 (0.79) ADKSIGMAR1HTR2BADRA2COPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 — — WO disclosed
WO-2003051899-A1 DEAZAPURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS RIBAPHARM INC. (US) 2003-06-26 — — WO disclosed
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