SCHEMBL7983492

SCHEMBL7983492

COc1ccc(CNc2nnc(N3CCS(=O)(=O)CC3)c3ccc(C#N)cc23)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
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
SCHEMBL7984990 0.90 PDE5A (1.00) PDE5APDE2A
SCHEMBL6597005 0.89 PDE5A (1.00) PDE5APDE2A
Hydrochloric Acid SCHEMBL6598637 0.88 PDE5A (1.00) PDE5APDE2A
SCHEMBL7987641 0.88 PDE5A (1.00) PDE5APDE2A
Hydrochloric Acid SCHEMBL6726612 0.87 PDE5A (0.86) PDE5APDE2A
SCHEMBL7076554 0.87 PDE5A (0.85) PDE5APDE2A
SCHEMBL1962546 0.87 PDE5A (1.00) PDE5APDE2A
SCHEMBL7069826 0.87 PDE5A (1.00) PDE5APDE2A
SCHEMBL7076567 0.87 PDE5A (0.81) PDE5APDE2A
Hydrochloric Acid SCHEMBL4219631 0.86 PDE5A (1.00) 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-6288064-B1 PHOSPHODIESTERASE INHIBITORS; PHTHALAZINE DERIVATIVES EISAI CO., LTD. (JP) 2001-09-11 US claimed
EP-0920868-A1 REMEDY FOR ERECTION FAILURE COMPRISING FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1999-06-09 EP claimed