SCHEMBL7684803

SCHEMBL7684803

COc1cc(CNc2nnc(Cl)c3ccc(C#N)cc23)ccc1Cl

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.84

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
SCHEMBL6594678 0.92 PDE5A (1.00) PDE5A
SCHEMBL27510101 0.88 PDE5A (0.81) PDE5A
SCHEMBL27491546 0.88 PDE5A (0.81) PDE5A
SCHEMBL27563557 0.88 PDE5A (0.81) PDE5A
SCHEMBL7914743 0.87 PDE5A (1.00) PDE5A
SCHEMBL7686667 0.87 PDE5A (0.80) PDE5A
SCHEMBL7678377 0.87 PDE5A (0.76) PDE5A
SCHEMBL7991813 0.86 PDE5A (1.00) PDE5A
SCHEMBL7688658 0.84 PDE5A (0.75) PDE5A
SCHEMBL7983725 0.83 PDE5A (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1210265-C Phthalazine derivatives and remedies for erectile dysfunction EISAI CO LTD (JP) 2005-07-13 CN disclosed
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 disclosed
CN-1275124-A Phthalazine derivatives and remedies for erectile dysfunction EISAI CO LTD (JP) 2000-11-29 CN disclosed