SCHEMBL8980697

SCHEMBL8980697

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

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.46
AGTR2 P50052 2/20 0.46

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
SCHEMBL8981275 0.97 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8980980 0.93 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8980937 0.93 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8980994 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8980740 0.92 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8980600 0.92 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8980896 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8980775 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8980694 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981296 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