SCHEMBL845014

SCHEMBL845014

CCOC(=O)Oc1c(C)cc2nc(COC(=O)NCCO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.80
CNR2 P34972 1/20 0.80
PIK3CD O00329 2/20 0.31
PKMYT1 Q99640 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL844370 0.95 CNR1 (0.75) CNR1CNR2
SCHEMBL844881 0.93 CNR1 (0.69) CNR1CNR2PIK3CD
Sad448 SCHEMBL844484 0.89 CNR1 (1.00) CNR1CNR2PIK3CDPKMYT1ALDH1A1
SCHEMBL17692388 0.87 CNR1 (0.86) CNR1CNR2PIK3CDPKMYT1ALDH1A1
SCHEMBL844333 0.85 CNR1 (0.90) CNR1CNR2PIK3CDPKMYT1
SCHEMBL17692331 0.84 CNR1 (0.90) CNR1CNR2PIK3CDALDH1A1KDM4E
SCHEMBL18673206 0.83 CNR1 (0.78) CNR1CNR2PIK3CDALDH1A1KDM4E
SCHEMBL844625 0.83 CNR1 (0.57) CNR1CNR2
SCHEMBL844174 0.82 CNR1 (0.87) CNR1CNR2PIK3CDALDH1A1KDM4E
Hydrochloric Acid SCHEMBL844735 0.81 CNR1 (0.86) CNR1CNR2PIK3CDALDH1A1KDM4E

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-1472234-B1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS CB AGONISTS NOVARTIS AG (CH) 2012-03-28 EP claimed