SCHEMBL2563015

SCHEMBL2563015

CCCCN1CC(c2ccc(OC)c3oc4cncnc4c23)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.45
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.36
TNF P01375 1/20 0.34
LITAF Q99732 1/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BRD4 O60885 3/20 0.31
PDE8B O95263 1/20 0.31

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
SCHEMBL2558109 0.97 PDE10A (0.44) PDE10APOLBTP53TNFLITAF
SCHEMBL2564284 0.84 PDE10A (0.54) PDE10APOLBPDE4APDE4BPDE4C
SCHEMBL2556902 0.82 PDE10A (0.54) PDE10APOLBTP53PDE4APDE4B
SCHEMBL2563205 0.82 PDE10A (0.53) PDE10APOLBTP53PDE4APDE4B
SCHEMBL2559772 0.82 PDE10A (0.53) PDE10APOLBTP53PDE4APDE4B
SCHEMBL8272011 0.81 PDE10A (0.62) PDE10APOLBTP53PDE4APDE4B
SCHEMBL2575117 0.76 PDE10A (0.52) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2557912 0.76 PDE10A (0.46) PDE10APOLBTP53
SCHEMBL2560611 0.76 PDE4A (0.42) PDE10ATNFPDE4APDE4BPDE4C
SCHEMBL2575124 0.75 PDE10A (0.55) PDE10APDE4APDE4BPDE4CPDE4D

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-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed