SCHEMBL9874950

SCHEMBL9874950

COC(C)Oc1nnc(OC(C)OC)c2c1nc(CC(C)(C)C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.36
AGTR2 P50052 9/20 0.36

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
SCHEMBL9872096 0.94 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9874172 0.93 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9874957 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873050 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9872780 0.87 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9874119 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9873966 0.86 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9874789 0.86 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9874756 0.86 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9872108 0.86 AGTR1 (0.36) 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