SCHEMBL11081687

SCHEMBL11081687

CCOC(=O)c1c(C)cc2nc(CO)n(-c3ccccc3C)c(=O)c2c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.59
▸ CNR2 P34972 1/20 0.59
▸ PIK3CD O00329 5/20 0.44
▸ THRB P10828 1/20 0.44
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ADORA1 P30542 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ PDE4D Q08499 2/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL11071848 0.92 CNR1 (0.57) CNR1CNR2PIK3CDTHRBMAPT
SCHEMBL11340568 0.92 CNR1 (0.52) CNR1CNR2PIK3CDTHRBMAPT
SCHEMBL10973972 0.91 CNR1 (0.57) CNR1CNR2THRBALDH1A1KMT2A
SCHEMBL11070514 0.91 CNR1 (0.57) CNR1CNR2PIK3CDTHRBMAPT
SCHEMBL11068971 0.91 CNR1 (0.58) CNR1CNR2PIK3CDTHRBMAPT
SCHEMBL11074709 0.90 CNR1 (0.56) CNR1CNR2THRBALDH1A1ADORA1
SCHEMBL11079598 0.90 CNR1 (0.56) CNR1CNR2THRBALDH1A1ADORA1
SCHEMBL10972776 0.89 CNR1 (0.54) CNR1CNR2THRBMAPTALDH1A1
SCHEMBL11374217 0.89 CNR1 (0.53) CNR1CNR2THRBMAPTALDH1A1
SCHEMBL11072620 0.88 CNR1 (0.53) CNR1CNR2MAPTALDH1A1KMT2A

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
US-4276295-A VASODILATORS, HYPOTENSIVE, ANTIATHEROSCLEROTIC Ishikawa, Masayuki (JP) 1981-06-30 — — US disclosed
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