SCHEMBL4007141

SCHEMBL4007141

COc1cccc(Cl)c1Oc1ncccc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.42
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
TRPV1 Q8NER1 2/20 0.39
MAPT P10636 1/20 0.38
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
PRKCG P05129 1/20 0.37
CDK1 P06493 1/20 0.37
RET P07949 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37

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 0.89 CCNT1 (0.46) PDE10ACCNT1CDK9
SCHEMBL4009123 0.88 PDE10A (0.53) PDE10A
SCHEMBL4017987 0.88 PDE10A (0.45) PDE10ATRPV1MAPK1
SCHEMBL4015332 0.87 PDE10A (0.51) PDE10ACCNT1CDK9MAPT
SCHEMBL4004149 0.87 HTR1A (0.48) PDE10ACCNT1CDK9TRPV1
SCHEMBL16992066 0.82 PDE10A (0.46) PDE10ACCNT1CDK9PLK4CHEK1
SCHEMBL4013658 0.82 CCNT1 (0.47) CCNT1CDK9
SCHEMBL4555950 0.82 PDE10A (0.44) PDE10ATRPV1MAPTMAPK1
SCHEMBL4014482 0.82 PDE10A (0.44) PDE10ACCNT1CDK9TRPV1MAPT
SCHEMBL4006732 0.81 PDE10A (0.49) PDE10ACCNT1CDK9MAPTPLK4

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