SCHEMBL5224029

SCHEMBL5224029

O=C(NCC1CCC1)c1c(O)cccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.69
CNR2 P34972 12/20 0.69
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 2/20 0.56
BCHE P06276 1/20 0.50
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.46
EP300 Q09472 1/20 0.46
PRMT1 Q99873 1/20 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
SCHEMBL4191556 0.88 CNR1 (0.68) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4199022 0.85 CNR1 (0.64) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4203143 0.85 CNR1 (0.70) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4191297 0.85 CNR1 (0.68) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5163850 0.82 CNR1 (1.00) CNR1CNR2
SCHEMBL14410392 0.80 CNR1 (0.66) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5233179 0.80 CNR1 (0.98) CNR1CNR2
SCHEMBL5236434 0.79 CNR1 (0.94) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4194677 0.79 CNR1 (0.73) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5158914 0.79 CNR1 (1.00) CNR1CNR2

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
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed