SCHEMBL8980957

SCHEMBL8980957

CCCCc1nc(C(C)CC)n(Cc2ccc(-n3c(-c4ccccc4)ccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.39
AGTR2 P50052 5/20 0.39

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
SCHEMBL8981112 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981193 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981337 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981050 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8980667 0.88 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981019 0.88 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981310 0.88 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8980743 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8981160 0.87 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8980917 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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