SCHEMBL7831370

SCHEMBL7831370

COc1ccc(COc2cc(CCCCO)nc3ccnn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
KDM5A P29375 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
ADORA2A P29274 1/20 0.36
PDE2A O00408 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
APP P05067 3/20 0.34
FFAR1 O14842 1/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL7830382 0.87 KDM5A (0.40) PDE10AKDM5AKDM5BKDM4CPRKAB2
SCHEMBL7832591 0.87 PRKAB2 (0.35) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7829229 0.87 LTA4H (0.39) PDE10AKDM5AKDM5BKDM4CPRKAB2
SCHEMBL7835058 0.85 TUBB1 (0.38) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7832158 0.85 KDM5A (0.42) PDE10AKDM5AKDM5BKDM4CPRKAB2
SCHEMBL7832874 0.83 KDM5A (0.40) PDE10AKDM5AKDM5BKDM4CPRKAB2
SCHEMBL7831388 0.81 CDK2 (0.43) KDM4C
SCHEMBL7820991 0.80 KDM5A (0.43) PDE10AKDM5AKDM5BKDM4CPRKAB2
SCHEMBL7821016 0.80 KDM5A (0.41) PDE10AKDM5AKDM5BKDM4CPRKAB2
SCHEMBL7834964 0.78 PDE10A (0.41) PDE10APRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820997-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2001-07-25 EP disclosed
US-5985882-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0820997-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-28 EP disclosed