SCHEMBL9044778

SCHEMBL9044778

CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C#N)cc(C)n2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.52
AGTR2 P50052 2/20 0.52
GPR4 P46093 1/20 0.47

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
SCHEMBL9042849 0.92 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9042629 0.92 AGTR1 (0.51) AGTR1AGTR2GPR4
SCHEMBL9040726 0.91 AGTR1 (0.52) AGTR1AGTR2GPR4
SCHEMBL9045201 0.88 AGTR2 (0.51) AGTR1AGTR2
SCHEMBL9042280 0.86 AGTR1 (0.51) AGTR1AGTR2GPR4
SCHEMBL9043895 0.85 AGTR1 (0.51) AGTR1AGTR2GPR4
SCHEMBL9597274 0.85 AGTR1 (0.51) AGTR1AGTR2GPR4
SCHEMBL9041821 0.84 AGTR1 (0.51) AGTR1AGTR2GPR4
SCHEMBL9042687 0.84 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9597985 0.84 AGTR1 (0.50) AGTR1AGTR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480204-B1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO (JP) 1996-03-20 EP disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed