SCHEMBL9529507

SCHEMBL9529507

CCCCC(F)(F)c1nc(C(C)CC)n(Cc2ccc(Cc3cccc(-c4nnn[nH]4)c3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.30

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
SCHEMBL8105035 0.95 PDE5A (0.31) PDE5A
SCHEMBL8109171 0.93 AGTR1 (0.31)
SCHEMBL8105054 0.92 PDE5A (0.32) PDE5A
SCHEMBL8110978 0.89 PDE5A (0.34) PDE5A
SCHEMBL8104966 0.88 PDE5A (0.31) PDE5A
SCHEMBL8105770 0.87 AGTR1 (0.31)
SCHEMBL8111145 0.87
SCHEMBL8103690 0.87 AGTR1 (0.34)
SCHEMBL8103549 0.86 AGTR1 (0.39)
SCHEMBL8103557 0.86 AGTR1 (0.39)

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
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed