SCHEMBL8980798

SCHEMBL8980798

CCCCc1nc(CCCC)n(Cc2ccc(-n3c(Br)cc(Br)c3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.45
AGTR2 P50052 3/20 0.45

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
SCHEMBL8980814 0.97 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8981263 0.93 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8981017 0.93 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8980867 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8980968 0.91 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8980941 0.91 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8981035 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8980696 0.88 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8980913 0.88 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8980815 0.87 AGTR1 (0.34) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175180-A Antagonist, antagonism G. D. SEARLE & CO. (US) 1992-12-29 US claimed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 WO claimed
US-5484937-A ANGIOTENSIN ANTAGONISTS G.D. SEARLE & CO. (US) 1996-01-16 US disclosed
US-5175180-A Antagonist, antagonism G. D. SEARLE & CO. (US) 1992-12-29 US disclosed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 WO disclosed