SCHEMBL8396147

SCHEMBL8396147

CCCCc1nc2ccc(NC(=O)CC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.79
AGTR2 P50052 2/20 0.79

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
SCHEMBL10443219 0.91 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL8394863 0.90 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9096186 0.90 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9041348 0.90 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL8392974 0.90 AGTR1 (0.81) AGTR1AGTR2
Water SCHEMBL9096091 0.89 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL8392429 0.89 AGTR1 (0.80) AGTR1AGTR2
SCHEMBL8393932 0.88 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL8396815 0.88 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL6567316 0.88 AGTR1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed