SCHEMBL7682425

SCHEMBL7682425

COc1ccc(CNc2nnc(N3CC(O)C(O)C3)c3ccc(C#N)cc23)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.81
PDE2A O00408 2/20 0.81

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
SCHEMBL7687603 0.94 PDE5A (0.84) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779636 0.91 PDE5A (0.82) PDE5APDE2A
SCHEMBL7075322 0.90 PDE5A (0.91) PDE5APDE2A
SCHEMBL1962546 0.90 PDE5A (1.00) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779803 0.90 PDE5A (0.75) PDE5APDE2A
Hydrochloric Acid SCHEMBL6773629 0.90 PDE5A (0.78) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779907 0.89 PDE5A (0.91) PDE5APDE2A
Hydrochloric Acid SCHEMBL4219631 0.89 PDE5A (1.00) PDE5APDE2A
Hydrochloric Acid SCHEMBL29801632 0.89 PDE5A (1.00) PDE5APDE2A
Hydrochloric Acid SCHEMBL6784151 0.89 PDE5A (0.81) PDE5APDE2A

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-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 US claimed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 EP claimed