SCHEMBL4015332

SCHEMBL4015332

COc1ccccc1Oc1ncccc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.51
CCNT1 O60563 7/20 0.46
CDK9 P50750 7/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40

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
SCHEMBL4013658 0.90 CCNT1 (0.47) CCNT1CDK9
SCHEMBL4010834 0.89 PDE10A (0.47) PDE10ACCNT1CDK9ALDH1A1SMN1; SMN2
SCHEMBL16992066 0.89 PDE10A (0.46) PDE10ACCNT1CDK9ALDH1A1SMN1; SMN2
SCHEMBL4009648 0.87 CCNT1 (0.46) PDE10ACCNT1CDK9
SCHEMBL4007141 0.87 PDE10A (0.42) PDE10ACCNT1CDK9MAPT
SCHEMBL4013425 0.87 PDE10A (0.62) PDE10AGRM5GRM1
SCHEMBL4014684 0.86 PDE10A (0.56) PDE10AALDH1A1SMN1; SMN2GRM5
SCHEMBL4006732 0.86 PDE10A (0.49) PDE10ACCNT1CDK9ALDH1A1SMN1; SMN2
SCHEMBL4010869 0.85 PDE10A (0.46) PDE10AALDH1A1SMN1; SMN2MAPT
SCHEMBL4017987 0.84 PDE10A (0.45) PDE10AALDH1A1SMN1; SMN2

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