SCHEMBL5327610

SCHEMBL5327610

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CONC=O)C(O)C1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.68
▸ ADORA1 P30542 3/20 0.68
▸ P2RY2 P41231 3/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ SRC P12931 2/20 0.68
▸ TRPM2 O94759 2/20 0.68
▸ TAS1R3 Q7RTX0 2/20 0.68
▸ TAS1R1 Q7RTX1 2/20 0.68
▸ DNPH1 O43598 1/20 0.68
▸ PRKAB2 O43741 1/20 0.68
▸ LDHA P00338 1/20 0.68
▸ ADRB2 P07550 1/20 0.68
▸ FBP1 P09467 1/20 0.68
▸ PRKAG1 P54619 1/20 0.68
▸ PRKAA2 P54646 1/20 0.68
▸ PDE4D Q08499 1/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ PRKAA1 Q13131 1/20 0.68
▸ PDE3A Q14432 1/20 0.68
▸ P2RY11 Q96G91 1/20 0.68

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
SCHEMBL926920 1.00 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL6569310 0.88 ADORA1 (0.73) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL8708990 0.87 ADORA1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL939593 0.87 ADORA1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL1723484 0.87 P2RY1 (0.70) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL8582406 0.86 P2RY1 (0.72) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL4870935 0.86 P2RY1 (0.72) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL3699269 0.86 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL4650247 0.86 IARS1 (0.69) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL1000175 0.86 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135380-A2 ANTIPARASITIC COMPOUNDS AND COMPOSITIONS MEDICAL RESEARCH COUNCIL (GB) 2007-11-29 — — WO disclosed
US-RE37045-E1 N-6 substituted-5′-(N-substituted carboxamide)adenosines as cardiac vasodilator and antihypertensive agents DISCOVERY THERAPEUTICS, INC. 2001-02-06 — — US disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 — — WO disclosed
US-5310731-A N-6 substituted-5'-(N-substitutedcarboxamido)adenosines as cardiac vasodilators and antihypertensive agents WHITBY RESEARCH, INC. (US) 1994-05-10 — — US disclosed
EP-0191025-B1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS Whitby Research Incorporated (US) 1990-03-07 — — EP disclosed
EP-0191025-A1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS. NELSON RES & DEV (US) 1986-08-20 — — EP disclosed
WO-1986000310-A1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1986-01-16 — — WO disclosed
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