SCHEMBL7077959

SCHEMBL7077959

OC[C@H]1O[C@@H](n2cc(C#Cc3ccccc3)c3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.81
▸ TMEM97 Q5BJF2 2/20 0.81
▸ HTR2B P41595 5/20 0.70
▸ ADRA2C P18825 1/20 0.70
▸ OPRK1 P41145 1/20 0.70
▸ HTR6 P50406 1/20 0.70
▸ ADORA3 P0DMS8 3/20 0.63
▸ TP53 P04637 1/20 0.63
▸ SLC29A1 Q99808 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ ADK P55263 5/20 0.58
▸ HIF1A Q16665 1/20 0.56
▸ PAX8 Q06710 1/20 0.56
▸ HTR1D P28221 1/20 0.55
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52

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
SCHEMBL7074340 0.89 SIGMAR1 (0.83) SIGMAR1TMEM97HTR2BADRA2COPRK1
SCHEMBL7070066 0.84 ADK (0.79) SIGMAR1TMEM97HTR2BADRA2COPRK1
SCHEMBL7070318 0.80 HTR2B (0.69) SIGMAR1TMEM97HTR2BADRA2COPRK1
SCHEMBL7077466 0.80 HTR2B (0.69) SIGMAR1TMEM97HTR2BADRA2COPRK1
SCHEMBL8331212 0.80 ADK (0.71) SIGMAR1TMEM97HTR2BADRA2COPRK1
SCHEMBL15477884 0.78 METTL3 (0.79) SIGMAR1TMEM97HTR2BADRA2COPRK1
SCHEMBL16941466 0.78 METTL3 (0.79) SIGMAR1TMEM97HTR2BADRA2COPRK1
SCHEMBL15570446 0.78 METTL3 (0.79) SIGMAR1TMEM97HTR2BADRA2COPRK1
SCHEMBL7070299 0.78 HTR2B (0.66) SIGMAR1TMEM97HTR2BADRA2COPRK1
SCHEMBL8332977 0.78 ADORA3 (0.69) SIGMAR1TMEM97HTR2BADRA2COPRK1

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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