SCHEMBL5532948

SCHEMBL5532948

COc1ccc2c(c1)CC[C@@H](N(C(=O)CC1C(=O)NC=CN1S(=O)(=O)c1ccc(C)cc1)c1ccccc1)C2

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.58

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
SCHEMBL3531833 0.81 BDKRB1 (0.73) BDKRB1
SCHEMBL4813499 0.80 BDKRB1 (0.60) BDKRB1
SCHEMBL3535398 0.78 BDKRB1 (0.73) BDKRB1
SCHEMBL4911975 0.74 BDKRB1 (0.53) BDKRB1
SCHEMBL3537489 0.72 BDKRB1 (0.75) BDKRB1
SCHEMBL3537157 0.72 BDKRB1 (0.75) BDKRB1
SCHEMBL3530594 0.72 BDKRB1 (0.55) BDKRB1
SCHEMBL3530592 0.72 BDKRB1 (0.55) BDKRB1
SCHEMBL11856347 0.72 DRD2 (0.50)
SCHEMBL4819558 0.71 BDKRB1 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP claimed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO claimed