SCHEMBL4013499

SCHEMBL4013499

CC(C)(C)OC(=O)N1CCC(c2cccnc2Oc2cc(F)ccc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.53
GPR119 Q8TDV5 3/20 0.51
LMNA P02545 2/20 0.51
HTR1A P08908 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 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 0.92 HTR1A (0.60) PDE10AGPR119LMNAHTR1ASLC6A2
SCHEMBL13770041 0.91 HTR1A (0.58) PDE10AGPR119LMNAHTR1ASLC6A2
SCHEMBL4011369 0.91 PDE10A (0.52) PDE10AGPR119LMNAHTR1ASLC6A2
SCHEMBL4009199 0.88 PDE10A (0.51) PDE10AGPR119LMNAHTR1ASLC6A2
SCHEMBL13769760 0.87 HTR1A (0.60) PDE10AGPR119LMNAHTR1ASLC6A2
SCHEMBL4009573 0.87 HTR1A (0.54) PDE10AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4009060 0.86 HTR1A (0.61) PDE10AGPR119LMNAHTR1ASLC6A2
SCHEMBL4003945 0.85 HTR1A (0.56) PDE10AGPR119LMNAHTR1ASLC6A2
SCHEMBL4014582 0.84 HTR1A (0.62) PDE10AGPR119LMNAHTR1ASLC6A2
SCHEMBL13769833 0.84 PDE10A (0.55) PDE10AGPR119HTR1ASLC6A2SLC6A4

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