SCHEMBL9873643

SCHEMBL9873643

CC(C)c1nc2c(C=O)nnc(O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.36
AGTR2 P50052 3/20 0.34
AGTR1 P30556 3/20 0.34

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
SCHEMBL9872806 0.93 GP6 (0.40) GP6AGTR2AGTR1
SCHEMBL9873778 0.91 AGTR1 (0.33) AGTR2AGTR1
SCHEMBL9874357 0.89 PPARG (0.35) AGTR1
SCHEMBL9871993 0.89 AGTR1 (0.38) GP6AGTR2AGTR1
SCHEMBL9873077 0.89 AGTR1 (0.35) GP6AGTR2AGTR1
SCHEMBL9874380 0.88 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9873334 0.88 GRM2 (0.33) AGTR2AGTR1
SCHEMBL9874661 0.87 AGTR2 (0.35) AGTR2
SCHEMBL9874673 0.87 AGTR1 (0.37) AGTR2AGTR1
SCHEMBL9873620 0.86 PPARG (0.34)

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