SCHEMBL9873650

SCHEMBL9873650

CCCC(=O)c1nnc(O)c2c1nc(C(C)C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
AGTR1 P30556 4/20 0.34
AGTR2 P50052 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
SCHEMBL9873957 0.94 AGTR1 (0.36) PPARGAGTR1AGTR2
SCHEMBL9873630 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9873778 0.87 AGTR1 (0.33) PPARGAGTR1AGTR2
SCHEMBL9872988 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9874673 0.87 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9874329 0.87 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9873721 0.86 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9874357 0.85 PPARG (0.35) PPARGAGTR1
SCHEMBL9873077 0.85 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9873032 0.85 AGTR1 (0.34) PPARGAGTR1AGTR2

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