SCHEMBL9077490

SCHEMBL9077490

CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc1)C(=CC(=O)OCCOC(=O)OCC)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 15/20 0.52
▸ AGTR2 P50052 14/20 0.52

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
SCHEMBL9077487 0.91 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9076323 0.89 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9078933 0.85 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL9076714 0.81 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9078103 0.77 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9076344 0.76 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL992501 0.75 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL991961 0.75 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9077584 0.73 AGTR1 (0.76) AGTR1AGTR2
SCHEMBL6857540 0.73 AGTR1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527815-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, AND HIGH INTRAOCULAR PRESSURE KOTOBUKI SEIYAKU CO., LTD. (JP) 1996-06-18 — — US disclosed
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