SCHEMBL14514219

SCHEMBL14514219

COc1ccc(CNc2nc(N3CCC[C@H]3CO)cnc2C(=O)N2CCn3ccnc3C2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.54

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
SCHEMBL12991159 0.87 PDE5A (0.68) PDE5A
SCHEMBL4977132 0.84 PDE5A (0.61) PDE5A
SCHEMBL5248876 0.84 PDE5A (0.61) PDE5A
SCHEMBL4977144 0.84 PDE5A (0.61) PDE5A
SCHEMBL5248886 0.84 PDE5A (0.61) PDE5A
SCHEMBL14514212 0.83 PDE5A (0.62) PDE5A
SCHEMBL1679812 0.81 PDE5A (0.75) PDE5A
SCHEMBL1679815 0.81 PDE5A (0.75) PDE5A
SCHEMBL8488147 0.80 PDE5A (0.57) PDE5A
SCHEMBL1680203 0.77 PDE5A (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed