SCHEMBL1723484

SCHEMBL1723484

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CONC(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.70
ADORA1 P30542 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
P2RY2 P41231 3/20 0.70
SRC P12931 2/20 0.70
DNPH1 O43598 1/20 0.70
PRKAB2 O43741 1/20 0.70
TRPM2 O94759 1/20 0.70
LDHA P00338 1/20 0.70
ADRB2 P07550 1/20 0.70
FBP1 P09467 1/20 0.70
PRKAG1 P54619 1/20 0.70
PRKAA2 P54646 1/20 0.70
PDE4D Q08499 1/20 0.70
KCNH2 Q12809 1/20 0.70
PRKAA1 Q13131 1/20 0.70
PDE3A Q14432 1/20 0.70
TAS1R3 Q7RTX0 1/20 0.70
TAS1R1 Q7RTX1 1/20 0.70
P2RY11 Q96G91 1/20 0.70

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
SCHEMBL3699269 0.91 P2RY1 (0.68) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL1000175 0.91 P2RY1 (0.68) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL6569310 0.89 ADORA1 (0.73) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL4356493 0.89 P2RY1 (0.66) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL381173 0.89 P2RY1 (0.66) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL8708990 0.88 ADORA1 (0.71) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL939593 0.88 ADORA1 (0.71) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL28978257 0.88 P2RY1 (0.65) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL1757017 0.87 ADORA1 (0.73) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL19859780 0.87 ADORA1 (0.73) P2RY1ADORA1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1743940-B1 CARDIOINHIBITORY/ ANTIHYPERTENSIVE NOVEL ENDOGENOUS PHYSIOLOGICALLY ACTIVE PEPTIDE JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-18 EP disclosed
US-7829526-B2 Cardioinhibitory/antihypertensive novel endogenous physiologically active peptide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-11-09 US disclosed
US-20080267871-A1 Cardioinhibitory/ Antihypertensive Novel Endogenous Physiologically Active Peptide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-10-30 US disclosed
EP-1743940-A1 CARDIOINHIBITORY/ ANTIHYPERTENSIVE NOVEL ENDOGENOUS PHYSIOLOGICALLY ACTIVE PEPTIDE Japan Science and Technology Agency (JP) 2007-01-17 EP disclosed