SCHEMBL7190841

SCHEMBL7190841

COc1ccc(Cn2c(=O)n(C3CCC(OC(C)=O)CC3)c3ccc(C#N)cc32)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.42
PDE7B Q9NP56 2/20 0.42
PDE5A O76074 13/20 0.40
DRD4 P21917 1/20 0.40
PDE2A O00408 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL7190835 1.00 PDE7A (0.42) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7190418 0.93 PDE7A (0.49) PDE7APDE7BPRMT5WDR77
SCHEMBL7190422 0.93 PDE7A (0.49) PDE7APDE7BPRMT5WDR77
SCHEMBL7178553 0.90 PDE5A (0.47) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7178544 0.90 PDE5A (0.47) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7185263 0.90 PDE5A (0.47) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7188245 0.89 CYP3A4 (0.40) PDE7APDE7BDRD4PRMT5WDR77
SCHEMBL7188239 0.89 CYP3A4 (0.40) PDE7APDE7BDRD4PRMT5WDR77
SCHEMBL7183896 0.88 PDE7A (0.45) PDE7APDE7BPDE5ADRD4PDE2A
SCHEMBL7182975 0.88 PDE5A (0.43) PDE7APDE7BPDE5ADRD4PDE2A

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
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed