SCHEMBL5443307

SCHEMBL5443307

CCCCc1nc(Cl)c(CN(C)C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.55
AGTR2 P50052 2/20 0.55

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
SCHEMBL3407499 0.89 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL14169520 0.88 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL5360591 0.86 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL1244507 0.86 AGTR2 (0.67) AGTR1AGTR2
SCHEMBL12730813 0.85 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL5360583 0.85 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL6755888 0.85 AGTR1 (0.59) AGTR1AGTR2
Methyl Isobutyl Ketone SCHEMBL6755889 0.85 AGTR2 (0.57) AGTR1AGTR2
SCHEMBL5454132 0.84 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL5773556 0.84 AGTR1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007144512-A2 DIAZENIUMDIOLATE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS THEREOF, AND USE OF SAME IN THE FIELDS OF HYPERTENSION AND CARDIOVASCULAR PATHOLOGIES LES LABORATOIRES SERVIER (FR) 2007-12-21 WO disclosed