SCHEMBL5794164

SCHEMBL5794164

CN(C)c1cccc2c(C(=O)O[C@@H]3[C@H](O)[C@@H](CO)O[C@H]3n3cnc4c(N)ncnc43)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.56
▸ P2RX1 P51575 2/20 0.54
▸ P2RX3 P56373 2/20 0.54
▸ P2RX4 Q99571 2/20 0.54
▸ P2RX7 Q99572 2/20 0.54
▸ P2RX2 Q9UBL9 2/20 0.54
▸ KLK7 P49862 1/20 0.54
▸ ADORA3 P0DMS8 3/20 0.53
▸ DPP4 P27487 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ SLC28A1 O00337 1/20 0.53
▸ MAP3K7 O43318 1/20 0.53
▸ SLC28A2 O43868 1/20 0.53
▸ GAPDH P04406 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ADORA2A P29274 1/20 0.53
▸ ADORA2B P29275 1/20 0.53
▸ STAT6 P42226 1/20 0.53
▸ PI4KA P42356 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL5794165 1.00 ADORA1 (0.56) ADORA1P2RX1P2RX3P2RX4P2RX7
SCHEMBL5793980 0.84 ADORA1 (0.64) ADORA1P2RX1P2RX3P2RX4P2RX7
SCHEMBL5793976 0.84 ADORA1 (0.64) ADORA1P2RX1P2RX3P2RX4P2RX7
SCHEMBL13046091 0.81 P2RX3 (0.66) ADORA1P2RX1P2RX3P2RX4P2RX7
SCHEMBL5797743 0.81 P2RX3 (0.66) ADORA1P2RX1P2RX3P2RX4P2RX7
SCHEMBL5797749 0.81 P2RX3 (0.66) ADORA1P2RX1P2RX3P2RX4P2RX7
SCHEMBL23547680 0.80 ADORA1 (0.72) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL31381449 0.80 ADORA1 (0.72) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL9186652 0.80 ADORA1 (0.72) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL11428960 0.80 ADORA1 (0.72) ADORA1ADORA3DPP4MEN1SLC28A1

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-2006038865-A1 NUCLEOTIDE DERIVATIVES FOR THE TREATMENT OF TYPE 2 DIABETES AND OTHER DISORDERS BETAGENON AB (SE) 2006-04-13 — — WO claimed
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