SCHEMBL4014582

SCHEMBL4014582

COc1cccc(F)c1Oc1ncccc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.62
SLC6A2 P23975 7/20 0.62
SLC6A4 P31645 7/20 0.62
SLC6A3 Q01959 3/20 0.62
PDE10A Q9Y233 1/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GPR119 Q8TDV5 1/20 0.46
JAK2 O60674 3/20 0.45
JAK3 P52333 3/20 0.45
PTK2 Q05397 3/20 0.45
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4003945 0.93 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL13769764 0.89 PDE10A (0.51) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL13770274 0.89 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL13769760 0.89 HTR1A (0.60) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL13770041 0.89 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL13769480 0.88 HTR1A (0.60) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL4004752 0.88 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13769755 0.88 PDE10A (0.59) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL4011369 0.86 PDE10A (0.52) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL4013499 0.84 PDE10A (0.53) HTR1ASLC6A2SLC6A4SLC6A3PDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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