SCHEMBL27682178

SCHEMBL27682178

CCn1ncc2c(-c3cncc(Cl)c3)c(CO)c(COC)nc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL4772589 0.89 MAPT (0.33) PDE10AMAPTTSHRRECQLNPSR1
SCHEMBL4776541 0.88 PDE10A (0.32) PDE10AMAPTTSHRRECQLNPSR1
SCHEMBL27682175 0.85 PDE10A (0.38) PDE10AADORA3ADORA2AADORA1MAPT
SCHEMBL4829971 0.83 MAPT (0.37) PDE10AADORA3ADORA2AADORA1MAPT
SCHEMBL4777660 0.83 PDE10A (0.37) PDE10AADORA3ADORA2AADORA1MAPT
SCHEMBL5367661 0.80 KDM4E (0.38) PDE10AADORA3ADORA2AADORA1MAPT
SCHEMBL4793463 0.80 PDE10A (0.34) PDE10AADORA3ADORA2AADORA1
SCHEMBL4793457 0.80 PDE10A (0.34) PDE10AADORA3ADORA2AADORA1
SCHEMBL27662635 0.80 PRKAA2 (0.36) PDE10AADORA3ADORA2AADORA1PSEN1
SCHEMBL27682181 0.78 SIGMAR1 (0.35) PDE10AADORA3ADORA2AADORA1MAPT

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
CN-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN disclosed