SCHEMBL10885264

SCHEMBL10885264

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1C(=O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.52
ADORA2B P29275 8/20 0.52
AHCY P23526 1/20 0.47
ADORA3 P0DMS8 1/20 0.44
NPEPPS P55786 1/20 0.44

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
SCHEMBL10887376 1.00 ADORA2A (0.52) ADORA2AADORA2BAHCYADORA3NPEPPS
SCHEMBL10883890 0.96 ADORA2A (0.49) ADORA2AADORA2BAHCYNPEPPS
SCHEMBL10886560 0.95 ADORA2A (0.49) ADORA2AADORA2BNPEPPS
SCHEMBL10885217 0.91 ADORA2A (0.53) ADORA2AADORA2BAHCYADORA3
SCHEMBL10888188 0.91 ADORA2A (0.46) ADORA2AADORA2BAHCYNPEPPS
SCHEMBL10886925 0.90 DOT1L (0.48) ADORA2AADORA2BAHCYADORA3
SCHEMBL10885957 0.89 ADORA2A (0.46) ADORA2AADORA2BNPEPPS
SCHEMBL10887149 0.88 AHCY (0.62) ADORA2AADORA2BAHCY
SCHEMBL10885233 0.88 AHCY (0.62) ADORA2AADORA2BAHCY
SCHEMBL11060614 0.88 ADORA2A (0.46) ADORA2AADORA2BNPEPPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP disclosed