Sugi Predict

Sugi Predict / Compounds / SCHEMBL11196402

SCHEMBL11196402

SCHEMBL11196402

CC(C)(C)OC(=O)NC(CC(=O)N[C@H]1[C@@H](O)[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPEPPS P55786 2/20 0.47
▸ ADORA2A P29274 6/20 0.46
▸ ADORA2B P29275 6/20 0.46

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
SCHEMBL10883806 1.00 NPEPPS (0.47) NPEPPSADORA2AADORA2B
SCHEMBL10884776 0.88 AHCY (0.51) NPEPPSADORA2B
SCHEMBL10885148 0.82 ADORA2A (0.45) ADORA2AADORA2B
SCHEMBL10888025 0.81 ADORA2A (0.57) ADORA2AADORA2B
SCHEMBL11215188 0.81 ADORA2A (0.57) ADORA2AADORA2B
SCHEMBL10883315 0.81 ADORA2A (0.55) ADORA2AADORA2B
SCHEMBL10885358 0.80 ADORA2A (0.51) ADORA2AADORA2B
SCHEMBL10886194 0.79 ADORA2A (0.54) ADORA2AADORA2B
SCHEMBL11202218 0.79 ADORA2A (0.54) ADORA2AADORA2B
SCHEMBL10885217 0.78 ADORA2A (0.53) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback