SCHEMBL28111577

SCHEMBL28111577

[CH2]Cc1sc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)cc(-c3cc(OC)c(OC)c(OC)c3)n2)nc1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.42
GPR39 O43194 1/20 0.42
PTGS2 P35354 14/20 0.39
PTGS1 P23219 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DCUN1D1 Q96GG9 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
SCHEMBL291368 0.85 PDE5A (0.62) PDE5AMEN1KMT2A
SCHEMBL16372093 0.73 PDE5A (0.56) PDE5AMEN1KMT2A
SCHEMBL28111576 0.70 PDE5A (0.50) PDE5AGPR39PTGS2PTGS1
SCHEMBL28798098 0.70 PDE5A (0.49) PDE5AGPR39PTGS2PTGS1
SCHEMBL290571 0.70 PDE5A (0.63) PDE5AGPR39MEN1KMT2A
SCHEMBL292253 0.69 PDE5A (0.62) PDE5AMEN1KMT2A
SCHEMBL291267 0.67 PDE5A (0.56) PDE5AGPR39PTGS2
SCHEMBL290819 0.67 PDE5A (0.68) PDE5AMEN1KMT2A
SCHEMBL291579 0.66 PDE5A (0.62) PDE5AMEN1KMT2A
SCHEMBL6068427 0.66 PDE5A (0.71) PDE5AMEN1KMT2A

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
CN-106038567-A Treatment of addiction and impulse-control disorders using pde7 inhibitors 奥默罗斯公司 2016-10-26 CN disclosed