SCHEMBL9879808

SCHEMBL9879808

CCCCc1nc(C(=O)OC)c(C(=O)OC)n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.67
AGTR2 P50052 2/20 0.67

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
SCHEMBL7907661 0.91 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL363 0.91 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL7910813 0.89 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL7308185 0.89 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL870 0.88 PPARG (0.57)
SCHEMBL7298585 0.85 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL7014033 0.84 AGTR2 (0.72) AGTR1AGTR2
SCHEMBL708 0.84 AGTR1 (0.80) AGTR1AGTR2
SCHEMBL7301732 0.84 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9468705 0.83 AGTR1 (0.78) 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
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed