SCHEMBL11076340

SCHEMBL11076340

CCOC(=O)c1c(C)cc2nc(CO)n(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ 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
▸ MAPT P10636 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ SLC10A2 Q12908 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36

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
SCHEMBL11071332 0.90 LMNA (0.47) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL11074709 0.84 CNR1 (0.56) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL11076067 0.81 CNR1 (0.48) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL11068985 0.80 CNR1 (0.50) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL11081687 0.79 CNR1 (0.59) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL11079598 0.78 CNR1 (0.56) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL11076274 0.78 CNR1 (0.48) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL11072147 0.78 ALDH1A1 (0.49) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL10974998 0.78 CNR1 (0.49) CNR1CNR2ADORA1PDE1APDE1B
SCHEMBL11071848 0.78 CNR1 (0.57) CNR1CNR2ADORA1PDE1APDE1B

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
Send feedback