SCHEMBL10883315

SCHEMBL10883315

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

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.55
▸ ADORA2B P29275 5/20 0.55
▸ ADORA3 P0DMS8 1/20 0.52

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
SCHEMBL10886194 0.92 ADORA2A (0.54) ADORA2AADORA2BADORA3
SCHEMBL11202218 0.92 ADORA2A (0.54) ADORA2AADORA2BADORA3
SCHEMBL10888025 0.90 ADORA2A (0.57) ADORA2AADORA2BADORA3
SCHEMBL11215188 0.90 ADORA2A (0.57) ADORA2AADORA2BADORA3
SCHEMBL10884518 0.86 DOT1L (0.50) ADORA2AADORA2B
SCHEMBL10886624 0.85 AHCY (0.65) ADORA2AADORA2BADORA3
SCHEMBL10885358 0.84 ADORA2A (0.51) ADORA2AADORA2BADORA3
SCHEMBL10884710 0.82 ADORA3 (0.60) ADORA2AADORA2BADORA3
SCHEMBL11195576 0.82 ADORA3 (0.60) ADORA2AADORA2BADORA3
SCHEMBL10885217 0.82 ADORA2A (0.53) ADORA2AADORA2BADORA3

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
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