SCHEMBL9850563

SCHEMBL9850563

CCCCc1nc2cc(C)c(=O)c(C)cc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.61
AGTR2 P50052 2/20 0.61
PPARG P37231 2/20 0.57

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
SCHEMBL9336732 0.90 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL9339366 0.88 PPARG (0.75) AGTR1AGTR2PPARG
SCHEMBL9335477 0.87 AGTR1 (0.70) AGTR1AGTR2PPARG
SCHEMBL9339152 0.87 PPARG (0.75) AGTR1AGTR2PPARG
SCHEMBL9195616 0.86 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL8391730 0.86 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL8396598 0.86 AGTR1 (0.79) AGTR1AGTR2PPARG
SCHEMBL9336993 0.85 PPARG (0.79) PPARG
SCHEMBL9850626 0.84 PPARG (0.59) PPARG
SCHEMBL7854881 0.84 AGTR1 (0.81) 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
EP-0432737-A1 Cycloheptimidazolone compounds as angiotensin II antagonists for control of hypertension G.D. Searle & Co. (US) 1991-06-19 EP claimed