SCHEMBL10887386

SCHEMBL10887386

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.52
▸ ADORA2B P29275 9/20 0.52
▸ AHCY P23526 1/20 0.50
▸ DOT1L Q8TEK3 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ NPEPPS P55786 1/20 0.44
▸ ADORA1 P30542 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
SCHEMBL10885276 1.00 ADORA2A (0.52) ADORA2AADORA2BAHCYDOT1LPRMT6
SCHEMBL10883897 0.96 ADORA2A (0.48) ADORA2AADORA2BAHCYDOT1LPRMT6
SCHEMBL10886574 0.95 ADORA2A (0.49) ADORA2AADORA2BAHCYNPEPPS
SCHEMBL10885229 0.93 ADORA2A (0.52) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL10885822 0.91 ADORA2A (0.46) ADORA2AADORA2BAHCYNPEPPS
SCHEMBL10884525 0.88 AHCY (0.52) ADORA2AADORA2BAHCYDOT1LADORA3
SCHEMBL10887158 0.88 AHCY (0.65) ADORA2AADORA2BAHCYDOT1L
SCHEMBL10885247 0.88 AHCY (0.65) ADORA2AADORA2BAHCYDOT1L
SCHEMBL11060622 0.88 ADORA2A (0.45) ADORA2AADORA2BNPEPPSADORA1
SCHEMBL10885962 0.87 ADORA2A (0.46) ADORA2AADORA2BAHCYDOT1LNPEPPS

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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