SCHEMBL4555950

SCHEMBL4555950

O=C(O)N1CC=C(c2cccnc2Oc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.44
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
UGCG Q16739 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
GPBAR1 Q8TDU6 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4014482 0.92 PDE10A (0.44) PDE10ATRPV1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4011353 0.88 PDE10A (0.55) PDE10A
SCHEMBL4017987 0.85 PDE10A (0.45) PDE10AHTR1ASLC6A2SLC6A4TRPV1
SCHEMBL4009241 0.82 PDE10A (0.44) PDE10AHTR1ASLC6A2SLC6A4TRPV1
SCHEMBL4011858 0.82 PDE10A (0.44) PDE10A
SCHEMBL4009606 0.82 MAPT (0.45) PDE10AHTR1ASLC6A2SLC6A4UGCG
SCHEMBL4007141 0.82 PDE10A (0.42) PDE10ATRPV1MAPTMAPK1
SCHEMBL4015332 0.81 PDE10A (0.51) PDE10AALDH1A1SMN1; SMN2MAPT
SCHEMBL4014684 0.81 PDE10A (0.56) PDE10AALDH1A1SMN1; SMN2
SCHEMBL16992066 0.81 PDE10A (0.46) PDE10AALDH1A1SMN1; SMN2MAPK1

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