SCHEMBL4017987

SCHEMBL4017987

O=C(O)N1CC=C(c2cccnc2Oc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.45
TRPV1 Q8NER1 5/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4007141 0.88 PDE10A (0.42) PDE10ATRPV1MAPK1
SCHEMBL4010759 0.88 TRPV1 (0.43) PDE10ATRPV1
SCHEMBL4007125 0.88 PDE10A (0.56) PDE10ADGAT2
SCHEMBL4014482 0.85 PDE10A (0.44) PDE10ATRPV1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4555950 0.85 PDE10A (0.44) PDE10ATRPV1HTR1ASLC6A2SLC6A4
SCHEMBL4015332 0.84 PDE10A (0.51) PDE10AALDH1A1SMN1; SMN2
SCHEMBL4004149 0.84 HTR1A (0.48) PDE10ATRPV1HTR1ASLC6A2SLC6A4
SCHEMBL4006732 0.84 PDE10A (0.49) PDE10AALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL4010834 0.82 PDE10A (0.47) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL4014684 0.82 PDE10A (0.56) PDE10AALDH1A1SMN1; SMN2

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