SCHEMBL6545442

SCHEMBL6545442

CCCc1nc(C(F)(F)F)c(OC(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.52
AGTR2 P50052 2/20 0.52
PPARG P37231 1/20 0.46

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
SCHEMBL8736122 0.95 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL6545554 0.94 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL3840808 0.92 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL6546048 0.88 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL6545316 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL186 0.87 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL7443225 0.87 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7907438 0.85 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL287 0.85 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL62 0.83 AGTR1 (0.73) AGTR1AGTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019048-B1 USE OF AN ANGIOTENSIN II RECEPTOR ANTAGONIST FOR THE PREPARATION OF DRUGS TO INCREASE THE SURVIVAL RATE OF RENAL TRANSPLANT PATIENTS MERCK SHARP DOHME ITALIA S P A (IT) 2004-01-21 EP claimed
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP claimed
EP-0533840-B1 TREATMENT OF CHRONIC RENAL FAILURE WITH IMIDAZOLE ANGIOTENSIN-II RECEPTOR ANTAGONISTS DU PONT (US) 1996-12-11 EP claimed