SCHEMBL7793907

SCHEMBL7793907

C[C@@]1(n2cnc3c(N)nc(CCc4ccccc4)nc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.61
ADORA1 P30542 4/20 0.61
ADORA2A P29274 6/20 0.45
ADORA2B P29275 4/20 0.45

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
SCHEMBL6685951 0.82 AHCY (0.46) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1938201 0.82 AHCY (0.46) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL20798007 0.81 ADORA2A (0.43) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL226038 0.81 ADORA2A (0.43) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6538264 0.80 ADORA2A (0.57) ADORA3ADORA1ADORA2A
SCHEMBL1070666 0.79 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B
Aniline SCHEMBL27746266 0.79 PI4KA (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2458484 0.78 BLM (0.44) ADORA3
Phosphoric Acid SCHEMBL1300003 0.77 RNASEL (0.42) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL41360 0.76 PI4KA (0.55) ADORA3ADORA1ADORA2AADORA2B

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
EP-0835233-B1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS NEN LIFE SCIENCE PROD INC (US) 2001-12-05 EP disclosed
US-5843396-A Method for stabilizing radiolabeled organic compounds by adding a separate stabilizing compound NEN LIFE SCIENCE PRODUCTS, INC. (US) 1998-12-01 US disclosed
EP-0835233-A1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-15 EP disclosed
US-5738836-A Composition for stabilizing radiolabeled organic compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-14 US disclosed
WO-1997001520-A1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-16 WO disclosed
EP-0354638-A2 Use of adenosine and its derivatives in diagnosis MEDCO RESEARCH INC (US) 1990-02-14 EP disclosed
US-4411881-A Composition and method for stabilizing radiolabeled compounds using thiocarbonylated diethylenetriamines NEW ENGLAND NUCLEAR CORPORATION (US) 1983-10-25 US disclosed