SCHEMBL5515280

SCHEMBL5515280

Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N2CCCC[C@H]2c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.57

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
SCHEMBL5506395 1.00 BDKRB1 (0.57) BDKRB1
SCHEMBL3537716 0.91 BDKRB1 (0.57) BDKRB1
SCHEMBL3537710 0.91 BDKRB1 (0.57) BDKRB1
SCHEMBL3537711 0.91 BDKRB1 (0.57) BDKRB1
SCHEMBL3539082 0.91 BDKRB1 (0.57) BDKRB1
SCHEMBL3530529 0.91 BDKRB1 (0.57) BDKRB1
SCHEMBL3532858 0.90 BDKRB1 (0.57) BDKRB1
SCHEMBL3530930 0.90 BDKRB1 (0.57) BDKRB1
SCHEMBL3538364 0.90 BDKRB1 (0.57) BDKRB1
SCHEMBL3530927 0.90 BDKRB1 (0.57) 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