SCHEMBL4013497

SCHEMBL4013497

CCc1cc(F)ccc1Oc1ncccc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 16/20 0.44
CDK9 P50750 16/20 0.44
PDE10A Q9Y233 2/20 0.42

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
SCHEMBL4009606 0.89 MAPT (0.45) CCNT1CDK9PDE10A
SCHEMBL4010939 0.88 PDE10A (0.53) CCNT1CDK9PDE10A
SCHEMBL4011858 0.87 PDE10A (0.44) CCNT1CDK9PDE10A
SCHEMBL4009241 0.83 PDE10A (0.44) CCNT1CDK9PDE10A
SCHEMBL4010834 0.83 PDE10A (0.47) CCNT1CDK9PDE10A
SCHEMBL4015332 0.83 PDE10A (0.51) CCNT1CDK9PDE10A
SCHEMBL4004496 0.81 PDE10A (0.41) CCNT1CDK9PDE10A
SCHEMBL4007261 0.81 PDE10A (0.46) CCNT1CDK9PDE10A
SCHEMBL4009648 0.81 CCNT1 (0.46) CCNT1CDK9PDE10A

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