SCHEMBL9873361

SCHEMBL9873361

CCCCc1nc2c(C3CCCCC3)nnc(O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.56
AGTR1 P30556 4/20 0.56

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
SCHEMBL9879662 0.94 AGTR2 (0.59) AGTR2AGTR1
SCHEMBL9874543 0.89 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL9872755 0.89 AGTR2 (0.67) AGTR2AGTR1
SCHEMBL9873113 0.88 AGTR1 (0.46) AGTR2AGTR1
SCHEMBL9874642 0.88 AGTR2 (0.55) AGTR2AGTR1
SCHEMBL9872025 0.87 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL9873276 0.87 AGTR1 (0.51) AGTR2AGTR1
SCHEMBL9875199 0.86 AGTR1 (0.56) AGTR2AGTR1
SCHEMBL9873138 0.86 AGTR2 (0.53) AGTR2AGTR1
SCHEMBL9873013 0.85 AGTR2 (0.68) 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