SCHEMBL4769340

SCHEMBL4769340

CCOC(=O)OC1CCN(Cc2nc(NCc3ccc(OC)c(Cl)c3)c3c4c(oc3n2)CCCC4)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
PDE5A O76074 8/20 0.39
ENPP2 Q13822 2/20 0.39

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
SCHEMBL4762021 0.92 PDE5A (0.40) PDE5AENPP2
SCHEMBL5359565 0.90 KDM4E (0.46) PDE5AENPP2
SCHEMBL4762032 0.88 SMN1; SMN2 (0.41) PDE5AENPP2
SCHEMBL4762020 0.87 PDE5A (0.47) PDE5AENPP2
SCHEMBL4771130 0.82 PDE5A (0.43) PDE5A
SCHEMBL4762016 0.81 PDE5A (0.37) PDE5A
SCHEMBL4763460 0.80 KDM4E (0.41) THRB
SCHEMBL5371025 0.77 PDE5A (0.41) PDE5A
SCHEMBL4769335 0.77 PDE5A (0.41) PDE5A
SCHEMBL7011555 0.76 PDE5A (0.44) PDE5A

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
EP-1432715-B1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-03-19 EP disclosed