SCHEMBL7416653

SCHEMBL7416653

COc1ccccc1C(COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.57
P2RY1 P47900 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
P2RY2 P41231 3/20 0.51
SRC P12931 2/20 0.51
DNPH1 O43598 1/20 0.51
PRKAB2 O43741 1/20 0.51
TRPM2 O94759 1/20 0.51
LDHA P00338 1/20 0.51
ADRB2 P07550 1/20 0.51
FBP1 P09467 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PDE3A Q14432 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
P2RY11 Q96G91 1/20 0.51

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
SCHEMBL7408724 0.95 ADORA2A (0.55) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL5170154 0.92 ADORA2A (0.57) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL7416263 0.90 ADORA1 (0.58) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL7415211 0.87 ADORA1 (0.58) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL1095305 0.86 ADORA2A (0.66) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL3450680 0.84 ADORA1 (0.68) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL7424205 0.84 ADORA2A (0.55) ADORA1P2RY1NNMTADORA2AADORA2B
SCHEMBL10709093 0.83 ADORA1 (0.62) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL7417571 0.83 ADORA2A (0.63) ADORA1P2RY1P2RY2SRCADORA2A
SCHEMBL13269505 0.82 AHCY (0.57) ADORA1P2RY1SMN1; SMN2P2RY2SRC

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-1988003147-A1 SELECTED N6-SUBSTITUTED ADENOSINES HAVING SELECTIVE A2 BINDING ACTIVITY WARNER-LAMBERT COMPANY (US) 1988-05-05 WO claimed