SCHEMBL4011369

SCHEMBL4011369

COc1cc(F)ccc1Oc1ncccc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GPR119 Q8TDV5 2/20 0.49
HTR1A P08908 3/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 2/20 0.48
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
ALK Q9UM73 1/20 0.47
MAPT P10636 1/20 0.45

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) PDE10ALMNAGPR119HTR1ASLC6A2
SCHEMBL4013499 0.91 PDE10A (0.53) PDE10ALMNAALDH1A1GPR119HTR1A
SCHEMBL13769755 0.90 PDE10A (0.59) PDE10ALMNAALDH1A1GPR119HTR1A
SCHEMBL4009199 0.90 PDE10A (0.51) PDE10ALMNAALDH1A1GPR119HTR1A
SCHEMBL4006292 0.88 HTR1A (0.53) LMNAHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13769833 0.86 PDE10A (0.55) PDE10AALDH1A1GPR119HTR1ASLC6A2
SCHEMBL4014582 0.86 HTR1A (0.62) PDE10ALMNAALDH1A1GPR119HTR1A
SCHEMBL13770041 0.85 HTR1A (0.58) PDE10ALMNAALDH1A1GPR119HTR1A
SCHEMBL4009060 0.84 HTR1A (0.61) PDE10ALMNAGPR119HTR1ASLC6A2
SCHEMBL17384582 0.84 GPR119 (0.58) PDE10AALDH1A1GPR119

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