SCHEMBL7991813

SCHEMBL7991813

COc1ccc(CNc2nnc(Cl)c3ccc(C#N)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 1.00

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
SCHEMBL7684803 0.86 PDE5A (0.84) PDE5A
SCHEMBL6594678 0.86 PDE5A (1.00) PDE5A
SCHEMBL27563557 0.84 PDE5A (0.81) PDE5A
SCHEMBL27491546 0.84 PDE5A (0.81) PDE5A
SCHEMBL27510101 0.84 PDE5A (0.81) PDE5A
SCHEMBL3758609 0.83 PDE5A (0.71) PDE5A
SCHEMBL7987839 0.83 PDE5A (0.79) PDE5A
SCHEMBL7686667 0.83 PDE5A (0.80) PDE5A
SCHEMBL7678377 0.82 PDE5A (0.76) PDE5A
SCHEMBL3107699 0.82 PDE5A (0.70) 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 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