SCHEMBL4014684

SCHEMBL4014684

O=C(O)N1CC=C(c2cccnc2Oc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.56
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.42
BTK Q06187 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL4008464 0.88 PDE10A (0.51) PDE10AALDH1A1SMN1; SMN2
SCHEMBL13685571 0.87 PDE10A (0.61) PDE10A
SCHEMBL4015332 0.86 PDE10A (0.51) PDE10AALDH1A1SMN1; SMN2GRM5
SCHEMBL13769826 0.86 PDE10A (0.69) PDE10ABTKGRM5
SCHEMBL16992066 0.85 PDE10A (0.46) PDE10AALDH1A1SMN1; SMN2
SCHEMBL3321688 0.85 PDE10A (0.54) PDE10A
SCHEMBL4010834 0.85 PDE10A (0.47) PDE10AALDH1A1SMN1; SMN2
SCHEMBL4006732 0.84 PDE10A (0.49) PDE10AALDH1A1SMN1; SMN2
SCHEMBL4010869 0.83 PDE10A (0.46) PDE10AALDH1A1SMN1; SMN2
SCHEMBL13685559 0.82 PDE10A (0.57) PDE10A

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
WO-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 WO disclosed