SCHEMBL9427397

SCHEMBL9427397

CCCCc1nnc(CCCC)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.61
AGTR2 P50052 2/20 0.61
ACHE P22303 1/20 0.58

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
SCHEMBL9427955 0.95 AGTR1 (0.56) AGTR1AGTR2ACHE
SCHEMBL9427401 0.88 PPARG (0.52) AGTR1AGTR2
SCHEMBL5865290 0.87 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9195616 0.86 AGTR1 (0.80) AGTR1AGTR2
SCHEMBL1076 0.86 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9263466 0.85 AGTR2 (0.56) AGTR1AGTR2
SCHEMBL9427457 0.85 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9428018 0.85 AGTR1 (0.57) AGTR1AGTR2ACHE
SCHEMBL462 0.85 AGTR2 (0.80) AGTR1AGTR2
SCHEMBL9844182 0.84 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