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Sugi Predict / Compounds / SCHEMBL1713232

SCHEMBL1713232

SCHEMBL1713232

CC(NC(=O)C1(O)CCC(F)(F)CC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F

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
SCHEMBL3626550 1.00 BDKRB1 (1.00) BDKRB1
SCHEMBL3624107 0.95 BDKRB1 (1.00) BDKRB1
SCHEMBL3626257 0.89 BDKRB1 (1.00) BDKRB1
SCHEMBL3621729 0.89 BDKRB1 (0.81) BDKRB1
SCHEMBL3616759 0.88 BDKRB1 (0.79) BDKRB1
SCHEMBL3612503 0.88 BDKRB1 (0.80) BDKRB1
SCHEMBL3622357 0.88 BDKRB1 (0.80) BDKRB1
SCHEMBL3626336 0.86 BDKRB1 (0.79) BDKRB1
SCHEMBL9947744 0.85 BDKRB1 (0.76) BDKRB1
SCHEMBL14889440 0.85 BDKRB1 (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344176-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT Jerini AG (DE) 2011-07-20 — — EP claimed
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 — — WO claimed
EP-2344176-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT Jerini AG (DE) 2011-07-20 — — EP disclosed
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 — — WO disclosed