SCHEMBL4009060

SCHEMBL4009060

Cc1ccc(Oc2ncccc2C2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.61
SLC6A2 P23975 3/20 0.61
SLC6A4 P31645 3/20 0.61
PDE10A Q9Y233 1/20 0.53
SLC6A3 Q01959 1/20 0.49
GPR119 Q8TDV5 3/20 0.47
LMNA P02545 1/20 0.44

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
SCHEMBL13769478 0.91 HTR1A (0.60) HTR1ASLC6A2SLC6A4PDE10ASLC6A3
SCHEMBL13769833 0.89 PDE10A (0.55) HTR1ASLC6A2SLC6A4PDE10ASLC6A3
SCHEMBL13770041 0.88 HTR1A (0.58) HTR1ASLC6A2SLC6A4PDE10ASLC6A3
SCHEMBL4010829 0.87 HTR1A (0.67) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4013499 0.86 PDE10A (0.53) HTR1ASLC6A2SLC6A4PDE10ASLC6A3
SCHEMBL13769760 0.85 HTR1A (0.60) HTR1ASLC6A2SLC6A4PDE10ASLC6A3
SCHEMBL4003945 0.84 HTR1A (0.56) HTR1ASLC6A2SLC6A4PDE10ASLC6A3
SCHEMBL4011369 0.84 PDE10A (0.52) HTR1ASLC6A2SLC6A4PDE10ASLC6A3
SCHEMBL4009199 0.83 PDE10A (0.51) HTR1ASLC6A2SLC6A4PDE10ASLC6A3
SCHEMBL13770274 0.83 HTR1A (0.61) HTR1ASLC6A2SLC6A4PDE10ASLC6A3

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