SCHEMBL8980816

SCHEMBL8980816

CCCCc1nc(C(CCC)(OC)OC)nn1Cc1ccc(-n2c(Cl)cc(Cl)c2-c2nnn[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34

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
SCHEMBL8980694 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981364 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8980775 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981056 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981342 0.87 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9669118 0.87 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8981199 0.87 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8980697 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8981506 0.85 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL8981275 0.85 AGTR1 (0.43) 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