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Sugi Predict / Compounds / SCHEMBL8555680

SCHEMBL8555680

SCHEMBL8555680

C=CCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(SC)c2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 10/20 0.84
▸ AGTR2 P50052 10/20 0.84

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
SCHEMBL7026921 0.95 AGTR1 (0.83) AGTR1AGTR2
SCHEMBL8971339 0.92 AGTR2 (0.71) AGTR1AGTR2
SCHEMBL7701057 0.91 AGTR2 (1.00) AGTR1AGTR2
SCHEMBL8976602 0.91 AGTR2 (1.00) AGTR1AGTR2
Potassium SCHEMBL8976441 0.90 AGTR2 (0.98) AGTR1AGTR2
SCHEMBL8348141 0.90 AGTR2 (1.00) AGTR1AGTR2
SCHEMBL8976768 0.90 AGTR2 (0.98) AGTR1AGTR2
SCHEMBL8353726 0.89 AGTR1 (0.91) AGTR1AGTR2
SCHEMBL8555681 0.89 AGTR2 (0.68) AGTR1AGTR2
SCHEMBL8347250 0.88 AGTR2 (0.91) 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-0503162-B1 Azole derivatives, process for their preparation and their application HOECHST AG (DE) 1998-04-22 — — EP disclosed
US-5482957-A Azole derivatives, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-09 — — US disclosed
EP-0503162-A1 Azole derivatives, process for their preparation and their application HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-16 — — EP disclosed