Sugi Predict

Sugi Predict / Compounds / SCHEMBL4008377

SCHEMBL4008377

SCHEMBL4008377

CC(C)(C)OC(=O)N1CC=C(c2cccnc2Oc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.58
▸ PDK4 Q16654 1/20 0.53
▸ GRM5 P41594 10/20 0.51
▸ GRM1 Q13255 10/20 0.51
▸ HTR6 P50406 1/20 0.45
▸ TNK2 Q07912 1/20 0.45
▸ BTK Q06187 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
SCHEMBL13770042 0.91 PDE10A (0.53) PDE10APDK4GRM5GRM1
SCHEMBL4014879 0.89 PDE10A (0.58) PDE10APDK4GRM5GRM1HTR6
SCHEMBL4010869 0.89 PDE10A (0.46) PDE10A
SCHEMBL13770040 0.88 PDE10A (0.60) PDE10APDK4GRM5GRM1HTR6
SCHEMBL4013425 0.88 PDE10A (0.62) PDE10APDK4GRM5GRM1HTR6
SCHEMBL4016330 0.86 PDE10A (0.59) PDE10APDK4GRM5GRM1HTR6
SCHEMBL13769826 0.85 PDE10A (0.69) PDE10APDK4GRM5GRM1HTR6
SCHEMBL4013686 0.85 GRM1 (0.58) PDE10APDK4GRM5GRM1HTR6
SCHEMBL13769848 0.85 PDE10A (0.60) PDE10APDK4GRM5GRM1HTR6
SCHEMBL13769766 0.84 PDE10A (0.55) PDE10APDK4GRM5GRM1BTK

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