SCHEMBL9879398

SCHEMBL9879398

CCCCc1nc2c(C3CCCCC3)nnc(C3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.48
AGTR2 P50052 7/20 0.48
PPARG P37231 3/20 0.45

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
SCHEMBL9873883 0.94 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9879648 0.88 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9879548 0.86 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9874244 0.85 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9871040 0.84 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9872282 0.83 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9873886 0.83 PPARG (0.45) AGTR1AGTR2PPARG
SCHEMBL9873526 0.82 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9879662 0.82 AGTR2 (0.59) AGTR1AGTR2
SCHEMBL9874732 0.82 PPARG (0.46) AGTR1AGTR2PPARG

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