SCHEMBL1069825

SCHEMBL1069825

CC(C)(C)C(=O)OCOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.63
P2RY1 P47900 4/20 0.63
P2RY2 P41231 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
SRC P12931 2/20 0.63
DNPH1 O43598 1/20 0.63
PRKAB2 O43741 1/20 0.63
TRPM2 O94759 1/20 0.63
LDHA P00338 1/20 0.63
ADRB2 P07550 1/20 0.63
FBP1 P09467 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PDE4D Q08499 1/20 0.63
KCNH2 Q12809 1/20 0.63
PRKAA1 Q13131 1/20 0.63
PDE3A Q14432 1/20 0.63
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
P2RY11 Q96G91 1/20 0.63

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
SCHEMBL11584944 0.92 ADORA1 (0.67) ADORA1P2RY1P2RY2SMN1; SMN2SRC
SCHEMBL1069794 0.90 P2RY1 (0.66) ADORA1P2RY1P2RY2SMN1; SMN2SRC
SCHEMBL1071256 0.84 ADORA3 (0.62) ADORA1P2RY1P2RY2SMN1; SMN2SRC
SCHEMBL8970328 0.84 NT5E (0.65) ADORA1P2RY1P2RY2SMN1; SMN2SRC
SCHEMBL8970318 0.84 NT5E (0.65) ADORA1P2RY1P2RY2SMN1; SMN2SRC
SCHEMBL11584743 0.83 P2RY1 (0.71) ADORA1P2RY1P2RY2SMN1; SMN2SRC
SCHEMBL5550634 0.83 P2RY1 (0.71) ADORA1P2RY1P2RY2SMN1; SMN2SRC
SCHEMBL219554 0.83 P2RY1 (0.71) ADORA1P2RY1P2RY2SMN1; SMN2SRC
SCHEMBL31001632 0.83 P2RY1 (0.71) ADORA1P2RY1P2RY2SMN1; SMN2SRC
SCHEMBL873362 0.83 ADORA3 (0.72) ADORA1P2RY1P2RY2SMN1; SMN2SRC

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-2011005595-A2 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 WO disclosed