SCHEMBL11682736

SCHEMBL11682736

CCCC(=O)O[C@H]1[C@H](OC(=O)CCC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.49
▸ P2RX4 Q99571 2/20 0.49
▸ P2RX2 Q9UBL9 2/20 0.49
▸ AHCY P23526 4/20 0.49
▸ ADORA1 P30542 4/20 0.48
▸ P2RX1 P51575 1/20 0.48
▸ P2RX7 Q99572 1/20 0.48
▸ EHMT1 Q9H9B1 1/20 0.47
▸ DNPH1 O43598 1/20 0.46
▸ PRKAB2 O43741 1/20 0.46
▸ TRPM2 O94759 1/20 0.46
▸ LDHA P00338 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ P2RY1 P47900 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PDE4D Q08499 1/20 0.46

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
SCHEMBL11422236 0.93 AHCY (0.51) P2RX3P2RX4P2RX2AHCYADORA1
SCHEMBL14450626 0.92 P2RX3 (0.49) P2RX3P2RX4P2RX2AHCYADORA1
SCHEMBL15293697 0.92 P2RX3 (0.49) P2RX3P2RX4P2RX2AHCYADORA1
SCHEMBL11417135 0.89 P2RX3 (0.52) P2RX3P2RX4P2RX2AHCYADORA1
SCHEMBL15293694 0.89 ADORA1 (0.46) P2RX3P2RX4P2RX2AHCYADORA1
SCHEMBL15293695 0.88 ADORA1 (0.47) P2RX3P2RX4P2RX2AHCYADORA1
SCHEMBL11683530 0.87 P2RX3 (0.50) P2RX3P2RX4P2RX2AHCYADORA1
SCHEMBL6223476 0.86 ADORA1 (0.59) AHCYADORA1EHMT1DNPH1PRKAB2
SCHEMBL15293691 0.85 ADORA1 (0.46) P2RX3P2RX4P2RX2AHCYADORA1
SCHEMBL21920009 0.84 AHCY (0.52) P2RX3P2RX4P2RX2AHCYADORA1

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
US-4048432-A 9-(3,5-Di-O-acyl-β-D-arabinofuranosyl)adenine compounds and method for their production PARKE, DAVIS & COMPANY (US) 1977-09-13 — — US disclosed
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