SCHEMBL5737339

SCHEMBL5737339

CCCCCCCCCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 1.00
ADORA2B P29275 4/20 1.00
ADORA3 P0DMS8 4/20 0.93
ADORA1 P30542 1/20 0.93

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
SCHEMBL15257780 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL789234 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL789235 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL12958834 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9173411 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6938649 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9173436 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9166176 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL21710733 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7070428 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110554-B1 MEDICINAL COMPOSITIONS FOR TREATING EYE DISEASES YAMASA CORP (JP) 2006-03-08 EP disclosed
US-6387889-B1 REDUCING OCULAR TENSION YAMASA CORPORATION (JP) 2002-05-14 US disclosed
EP-1110554-A1 MEDICINAL COMPOSITIONS FOR TREATING EYE DISEASES YAMASA CORPORATION (JP) 2001-06-27 EP disclosed
US-5459254-A Reversing the order of the amination and alkynylation steps YAMASA SHOYU KABUSHIKI KAISHA (JP) 1995-10-17 US disclosed
EP-0429681-B1 INTERMEDIATE FOR 2-ALKYNYLADENOSINE SYNTHESIS, PRODUCTION OF SAID INTERMEDIATE, PRODUCTION OF 2-ALKYNYLADENOSINE FROM SAID INTERMEDIATE, AND STABLE 2-ALKYNYLADENOSINE DERIVATIVE YAMASA SHOYU KK (JP) 1995-09-06 EP disclosed
EP-0444196-B1 AGENT FOR TREATMENT AND PROPHYLAXIS OF ISCHEMIC DISEASE OF HEART OR BRAIN YAMASA SHOYU KK (JP) 1994-06-08 EP disclosed
US-5283327-A Synthetic intermediate for 2-alkynyladenosine; storage stability YAMASA SHOYU KABUSHIKI KAISHA (JP) 1994-02-01 US disclosed
US-5270304-A Therapeutic 2-alkynyl adenosine agent for ischemic diseases of the heart or brain YAMASA SHOYU KABUSHIKI KAISHA (JP) 1993-12-14 US disclosed
EP-0444196-A1 AGENT FOR TREATMENT AND PROPHYLAXIS OF ISCHEMIC DISEASE OF HEART OR BRAIN Yamasa Shoyu Kabushiki Kaisha (JP) 1991-09-04 EP disclosed
EP-0429681-A1 INTERMEDIATE FOR 2-ALKYNYLADENOSINE SYNTHESIS, PRODUCTION OF SAID INTERMEDIATE, PRODUCTION OF 2-ALKYNYLADENOSINE FROM SAID INTERMEDIATE, AND STABLE 2-ALKYNYLADENOSINE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (Yamasa Corporation) (JP) 1991-06-05 EP disclosed