SCHEMBL4004496

SCHEMBL4004496

CCOc1cccc(F)c1Oc1ncccc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.41
CCNT1 O60563 4/20 0.41
CDK9 P50750 4/20 0.41
GRM5 P41594 2/20 0.38
GRM1 Q13255 2/20 0.38
TRPV1 Q8NER1 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4009648 0.91 CCNT1 (0.46) PDE10ACCNT1CDK9
SCHEMBL4010834 0.88 PDE10A (0.47) PDE10ACCNT1CDK9ALDH1A1
SCHEMBL4010237 0.87 PDE10A (0.44) PDE10ACCNT1CDK9GRM5GRM1
SCHEMBL4004149 0.85 HTR1A (0.48) PDE10ACCNT1CDK9GRM5GRM1
SCHEMBL4011858 0.82 PDE10A (0.44) PDE10ACCNT1CDK9
SCHEMBL4009606 0.82 MAPT (0.45) PDE10ACCNT1CDK9
SCHEMBL4013497 0.81 CCNT1 (0.44) PDE10ACCNT1CDK9
SCHEMBL4009241 0.80 PDE10A (0.44) PDE10ACCNT1CDK9GRM5GRM1
SCHEMBL4305255 0.80 GRM1 (0.53) PDE10ACCNT1CDK9GRM5GRM1
SCHEMBL4007141 0.80 PDE10A (0.42) PDE10ACCNT1CDK9TRPV1

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