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Sugi Predict / Compounds / SCHEMBL4031867

SCHEMBL4031867

SCHEMBL4031867

Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 20/20 1.00

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
SCHEMBL4032998 0.88 BDKRB1 (0.79) BDKRB1
SCHEMBL5420078 0.86 BDKRB1 (1.00) BDKRB1
SCHEMBL4036439 0.84 BDKRB1 (0.81) BDKRB1
SCHEMBL10180391 0.84 BDKRB1 (1.00) BDKRB1
SCHEMBL4037306 0.84 BDKRB1 (0.79) BDKRB1
SCHEMBL10182469 0.81 BDKRB1 (1.00) BDKRB1
SCHEMBL10181076 0.81 BDKRB1 (1.00) BDKRB1
SCHEMBL10181571 0.81 BDKRB1 (1.00) BDKRB1
SCHEMBL10182433 0.81 BDKRB1 (1.00) BDKRB1
SCHEMBL10183440 0.80 BDKRB1 (1.00) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723143-B1 AMINO CYCLOPROPANE CARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO INC (US) 2009-02-18 — — EP disclosed
EP-1723143-B1 AMINO CYCLOPROPANE CARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO INC (US) 2009-02-18 — — EP disclosed
US-20070189865-A1 Amino cyclopropane carboxamide derivatives as bradykinin antagonists MERCK & CO., INC. 2007-08-16 — — US disclosed
US-20070189865-A1 Amino cyclopropane carboxamide derivatives as bradykinin antagonists MERCK & CO., INC. 2007-08-16 — — US disclosed
US-20070189865-A1 Amino cyclopropane carboxamide derivatives as bradykinin antagonists MERCK & CO., INC. 2007-08-16 — — US disclosed