SCHEMBL4008464

SCHEMBL4008464

O=C(O)N1CC=C(c2cccnc2Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.51
TRPV1 Q8NER1 7/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4014684 0.88 PDE10A (0.56) PDE10AALDH1A1SMN1; SMN2
SCHEMBL3321688 0.82 PDE10A (0.54) PDE10A
SCHEMBL4010869 0.81 PDE10A (0.46) PDE10ATRPV1ALDH1A1SMN1; SMN2
SCHEMBL13685571 0.81 PDE10A (0.61) PDE10A
SCHEMBL16992066 0.79 PDE10A (0.46) PDE10AALDH1A1SMN1; SMN2
SCHEMBL4949303 0.79 TRPV1 (0.45) TRPV1ALDH1A1SMN1; SMN2
SCHEMBL4007261 0.79 PDE10A (0.46) PDE10A
SCHEMBL4010237 0.78 PDE10A (0.44) PDE10ATRPV1ALDH1A1SMN1; SMN2
SCHEMBL4015332 0.78 PDE10A (0.51) PDE10AALDH1A1SMN1; SMN2
SCHEMBL4010759 0.78 TRPV1 (0.43) PDE10ATRPV1

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