SCHEMBL4778047

SCHEMBL4778047

[CH2]/C=C/c1c(COC)nc2c(cnn2CC)c1-c1cncc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4772348 0.89 PDE10A (0.32) PDE10AMAPTTSHRRECQLNPSR1
SCHEMBL4772353 0.89 PDE10A (0.32) PDE10AMAPTTSHRRECQLNPSR1
SCHEMBL4776059 0.88 PDE10A (0.33) PDE10AMAPTTSHRRECQLNPSR1
SCHEMBL4772675 0.87 SMN1; SMN2 (0.32) PDE10AMAPTTSHRRECQLNPSR1
SCHEMBL4772687 0.87 SMN1; SMN2 (0.32) PDE10AMAPTTSHRRECQLNPSR1
SCHEMBL4776041 0.85 SMN1; SMN2 (0.30) MAPTTSHRNPSR1
SCHEMBL4776057 0.85 SMN1; SMN2 (0.30) MAPTTSHRNPSR1
SCHEMBL5117332 0.83 MEN1 (0.33) MAPTTSHRNPSR1
SCHEMBL5117322 0.83 MEN1 (0.33) MAPTTSHRNPSR1
SCHEMBL27682153 0.83 PDE10A (0.36) PDE10AMAPTTSHRRECQLNPSR1

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-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed