SCHEMBL5224036

SCHEMBL5224036

COc1ccc(NC(=O)c2cccc3ccccc23)c(C(=O)NCC2CCCCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.74
CNR2 P34972 9/20 0.74
POLB P06746 2/20 0.59
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.53
AURKA O14965 1/20 0.48
LCK P06239 1/20 0.48
MET P08581 1/20 0.48
KDR P35968 1/20 0.48
TEK Q02763 1/20 0.48
AURKB Q96GD4 1/20 0.48
BCHE P06276 1/20 0.48
GFER P55789 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4196133 0.87 CNR1 (0.69) CNR1CNR2POLBNPC1ALDH1A1
SCHEMBL4190849 0.85 CNR1 (0.78) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5314765 0.85 CNR1 (0.78) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4190780 0.85 CNR1 (1.00) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5224040 0.85 CNR1 (0.78) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5220662 0.85 CNR1 (0.74) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4194677 0.84 CNR1 (0.73) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4255785 0.82 CNR1 (0.71) CNR1CNR2POLBAURKALCK
SCHEMBL4185327 0.82 CNR1 (0.73) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4191810 0.82 CNR1 (0.73) CNR1CNR2POLBNPC1ALDH1A1

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

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