SCHEMBL7832158

SCHEMBL7832158

COc1ccc(COc2cc(CCC(C)O)nc3ccnn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
PDE10A Q9Y233 1/20 0.37
FFAR1 O14842 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
PDE2A O00408 1/20 0.34
APP P05067 2/20 0.34
ADRB3 P13945 3/20 0.33
ADRB2 P07550 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7832013 0.88 KDM5A (0.39) KDM5AKDM5BKDM4CPRKAB2PRKAG1
SCHEMBL7835469 0.88 HTR2C (0.38) KDM5AKDM5BKDM4CPRKAB2PRKAG1
SCHEMBL7820723 0.88 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7820991 0.86 KDM5A (0.43) KDM5AKDM5BKDM4CPRKAB2PRKAG1
SCHEMBL7831370 0.85 PDE10A (0.42) KDM5AKDM5BKDM4CPRKAB2PRKAG1
SCHEMBL7832723 0.82 CDK2 (0.42) KDM4C
SCHEMBL7832635 0.81 GABRA1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7821016 0.80 KDM5A (0.41) KDM5AKDM5BKDM4CPRKAB2PRKAG1
SCHEMBL7833160 0.78 PDE10A (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7833197 0.77 LOXL2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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