SCHEMBL11079598

SCHEMBL11079598

CCOC(=O)c1c(C)cc2nc(CO)n(-c3ccccc3OCC)c(=O)c2c1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.56
▸ CNR2 P34972 1/20 0.56
▸ HIF1A Q16665 10/20 0.47
▸ PDE10A Q9Y233 2/20 0.42
▸ THRB P10828 1/20 0.41
▸ ADORA1 P30542 1/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.39

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
SCHEMBL11074709 0.93 CNR1 (0.56) CNR1CNR2HIF1ATHRBADORA1
SCHEMBL11081687 0.90 CNR1 (0.59) CNR1CNR2PDE10ATHRBADORA1
SCHEMBL10973972 0.90 CNR1 (0.57) CNR1CNR2THRBADORA1PDE1A
SCHEMBL11071848 0.89 CNR1 (0.57) CNR1CNR2THRBADORA1PDE1A
SCHEMBL11070514 0.88 CNR1 (0.57) CNR1CNR2THRBADORA1PDE1A
SCHEMBL10972776 0.85 CNR1 (0.54) CNR1CNR2THRBADORA1PDE1A
SCHEMBL11074341 0.84 CNR1 (0.54) CNR1CNR2THRBADORA1PDE1A
SCHEMBL11081203 0.83 CNR1 (0.51) CNR1CNR2THRBLMNAALDH1A1
SCHEMBL11340568 0.83 CNR1 (0.52) CNR1CNR2PDE10ATHRBADORA1
SCHEMBL844571 0.83 CNR1 (0.79) CNR1CNR2THRBADORA1PDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451467-A HYPOTENSIVE AGENTS Ishikawa, Masayuki (JP) 1984-05-29 — — US disclosed
EP-0056637-A1 4(3H)-quinazolinone derivatives, process for production thereof and pharmaceutical compositions comprising said compounds Ishikawa, Masayuki (JP) 1982-07-28 — — EP disclosed
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