Sugi Predict

Sugi Predict / Compounds / SCHEMBL8094974

SCHEMBL8094974

SCHEMBL8094974

CCCCc1nc2ccn(Cc3ccc(-c4ccccc4C(=O)O)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 8/20 0.73
▸ AGTR1 P30556 7/20 0.73
▸ PPARG P37231 2/20 0.65

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
SCHEMBL8081205 0.90 AGTR2 (0.64) AGTR2AGTR1
SCHEMBL8091186 0.87 AGTR1 (0.70) AGTR2AGTR1
SCHEMBL8543694 0.87 AGTR2 (0.80) AGTR2AGTR1PPARG
SCHEMBL8089287 0.85 AGTR1 (0.69) AGTR2AGTR1PPARG
SCHEMBL8089288 0.85 AGTR1 (0.60) AGTR2AGTR1
SCHEMBL8092921 0.85 AGTR1 (0.62) AGTR2AGTR1
SCHEMBL17044161 0.84 AGTR2 (0.72) AGTR2AGTR1
SCHEMBL8396636 0.84 AGTR2 (0.75) AGTR2AGTR1PPARG
SCHEMBL9133442 0.84 AGTR1 (0.69) AGTR2AGTR1PPARG
SCHEMBL614372 0.84 AGTR1 (0.77) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 — — US disclosed
US-5798364-A ANGIOTENSIN II ANTAGONIST, USEFUL FOR TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-08-25 — — US disclosed