SCHEMBL9429451

SCHEMBL9429451

C=CCCc1cc(COC)n(Cc2ccc(-c3ccccc3C(=O)OC)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
AGTR1 P30556 4/20 0.43
AGTR2 P50052 2/20 0.43
ACHE P22303 1/20 0.41
BRS3 P32247 2/20 0.40
SLC6A2 P23975 1/20 0.39
BDKRB1 P46663 1/20 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
SCHEMBL9427557 0.89 AGTR1 (0.49) SLC6A3SLC6A4AGTR1AGTR2ACHE
SCHEMBL9427632 0.87 AGTR1 (0.54) AGTR1AGTR2ACHE
SCHEMBL9455354 0.84 PPARG (0.44) AGTR1AGTR2
SCHEMBL9428006 0.83 AGTR1 (0.49) SLC6A3SLC6A4AGTR1AGTR2ACHE
SCHEMBL9428305 0.81 AGTR1 (0.54) AGTR1AGTR2ACHE
SCHEMBL9428154 0.81 AGTR1 (0.51) SLC6A3SLC6A4AGTR1AGTR2ACHE
SCHEMBL9427421 0.80 PPARG (0.54) AGTR1AGTR2
SCHEMBL9428161 0.79 SLC16A3 (0.35) SLC6A3SLC6A4SLC6A2
SCHEMBL9427961 0.79 AGTR1 (0.51) SLC6A3SLC6A4AGTR1AGTR2ACHE
SCHEMBL9427803 0.78 AGTR1 (0.56) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5315013-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-24 US disclosed
EP-0323841-B1 SUBSTITUTED PYRROLE, PYRAZOLE AND TRIAZOLE ANGIOTENSIN II ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed
US-5189048-A Hypotensive agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-23 US disclosed
US-5093346-A Hypotensive agents, congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-03 US disclosed
US-5081127-A Hypotensive agents and treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-14 US disclosed
US-5043349-A Hypotensive agents, treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 US disclosed
US-5015651-A Triazole derivatives for treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US disclosed
EP-0323841-A2 Substituted pyrrole, pyrazole and triazole angiotensin II antagonists E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-12 EP disclosed