SCHEMBL7680554

SCHEMBL7680554

COc1ccc(CNc2nnc(N3CCC(CO)(CO)CC3)c3ccc(C#N)cc23)cc1Cl

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.84
PDE2A O00408 2/20 0.77

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
SCHEMBL7684784 0.93 PDE5A (0.85) PDE5APDE2A
Hydrochloric Acid SCHEMBL6783873 0.92 PDE5A (0.85) PDE5APDE2A
Hydrochloric Acid SCHEMBL6778514 0.91 PDE5A (0.81) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779731 0.91 PDE5A (0.81) PDE5APDE2A
Hydrochloric Acid SCHEMBL6598663 0.90 PDE5A (1.00) PDE5APDE2A
SCHEMBL7913150 0.89 PDE5A (0.81) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779129 0.88 PDE5A (0.77) PDE5APDE2A
SCHEMBL7984990 0.88 PDE5A (1.00) PDE5APDE2A
Hydrochloric Acid SCHEMBL6777587 0.88 PDE5A (0.84) PDE5APDE2A
Hydrochloric Acid SCHEMBL6726612 0.88 PDE5A (0.86) 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