SCHEMBL9874528

SCHEMBL9874528

CCCCc1nc2c(C(C)c3ccccc3)nnc(C(C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.61
AGTR1 P30556 4/20 0.61

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
SCHEMBL9872095 0.94 AGTR2 (0.58) AGTR2AGTR1
SCHEMBL9872982 0.90 AGTR2 (0.64) AGTR2AGTR1
SCHEMBL9872927 0.87 AGTR1 (0.48) AGTR1
SCHEMBL9874451 0.86 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL9874838 0.85 AGTR1 (0.46) AGTR1
SCHEMBL9872256 0.82 AGTR1 (0.48) AGTR2AGTR1
SCHEMBL9873893 0.82 AGTR2 (0.71) AGTR2AGTR1
SCHEMBL9872755 0.82 AGTR2 (0.67) AGTR2AGTR1
SCHEMBL9874239 0.82 AGTR2 (0.67) AGTR2AGTR1
SCHEMBL9872691 0.82 AGTR2 (0.61) AGTR2AGTR1

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