SCHEMBL7189749

SCHEMBL7189749

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC2CC3CC2C2OC32)[C@@H](O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.59
P2RY1 P47900 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
P2RY2 P41231 3/20 0.59
SRC P12931 2/20 0.59
DNPH1 O43598 1/20 0.59
PRKAB2 O43741 1/20 0.59
TRPM2 O94759 1/20 0.59
LDHA P00338 1/20 0.59
ADRB2 P07550 1/20 0.59
FBP1 P09467 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PDE4D Q08499 1/20 0.59
KCNH2 Q12809 1/20 0.59
PRKAA1 Q13131 1/20 0.59
PDE3A Q14432 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
P2RY11 Q96G91 1/20 0.59

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
SCHEMBL7195835 1.00 ADORA1 (0.59) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL5921422 0.85 ADORA1 (0.47) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL2033894 0.83 ADORA1 (0.60) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL10689183 0.81 ADORA3 (0.73) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL8606410 0.81 ADORA1 (0.64) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL8606022 0.81 ADORA1 (0.64) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL8607675 0.81 ADORA1 (0.64) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL8606939 0.81 ADORA1 (0.64) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL7191539 0.81 P2RY1 (0.60) ADORA1P2RY1SMN1; SMN2P2RY2SRC
SCHEMBL120551 0.80 ADORA3 (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019426-B1 NOVEL A1 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS UNIV FLORIDA (US) 2003-03-12 EP claimed
EP-1019426-B1 NOVEL A1 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS UNIV FLORIDA (US) 2003-03-12 EP disclosed
EP-1019426-A1 NOVEL A 1? ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS THE UNIVERSITY OF FLORIDA (US) 2000-07-19 EP disclosed
US-5736528-A CARDIOTONIC AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1998-04-07 US disclosed
WO-1997024363-A1 NOVEL A1 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF FLORIDA (US) 1997-07-10 WO disclosed