SCHEMBL9873050

SCHEMBL9873050

CCCCc1nc2c(OC(C)OC)nnc(OC(C)OC)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.49
AGTR2 P50052 7/20 0.49

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
SCHEMBL9873343 0.94 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9872223 0.94 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9872760 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9874950 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9873851 0.87 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9872436 0.87 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9872780 0.87 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9872204 0.86 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9873516 0.86 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9873966 0.86 AGTR1 (0.33) 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
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 claimed
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