SCHEMBL9873097

SCHEMBL9873097

Cc1nc2c(C=O)nnc(C=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.42
AGTR1 P30556 7/20 0.42
GP6 Q9HCN6 1/20 0.41

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
SCHEMBL9871993 0.93 AGTR1 (0.38) AGTR2AGTR1GP6
SCHEMBL9872806 0.88 GP6 (0.40) AGTR2AGTR1GP6
SCHEMBL9871103 0.87 AGTR1 (0.42) AGTR2AGTR1
SCHEMBL9873090 0.86 GP6 (0.41) AGTR2AGTR1GP6
SCHEMBL9872935 0.85 GP6 (0.56) AGTR2AGTR1GP6
SCHEMBL9871897 0.83 AGTR1 (0.41) AGTR2AGTR1GP6
SCHEMBL9874006 0.83 AGTR1 (0.44) AGTR2AGTR1GP6
SCHEMBL9873895 0.82 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL9873841 0.82 AGTR1 (0.42) AGTR2AGTR1
SCHEMBL9871966 0.82 AGTR1 (0.40) 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