SCHEMBL5517417

SCHEMBL5517417

Cc1ccc(N2C=CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2CCOc3cc(CNC(C)(C)C)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.41
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3593445 0.88 BDKRB1 (0.55) BDKRB1
SCHEMBL3593440 0.88 BDKRB1 (0.55) BDKRB1
SCHEMBL5520577 0.85 BDKRB1 (0.47) BDKRB1MEN1KMT2A
SCHEMBL3531854 0.74 BDKRB1 (0.66) BDKRB1
SCHEMBL3531860 0.74 BDKRB1 (0.66) BDKRB1
SCHEMBL3604956 0.73 BDKRB1 (0.62) BDKRB1
SCHEMBL3533527 0.73 BDKRB1 (0.62) BDKRB1
SCHEMBL4340706 0.68 BDKRB1 (0.46) BDKRB1
SCHEMBL3532493 0.68 BDKRB1 (0.61) BDKRB1
SCHEMBL4340711 0.68 BDKRB1 (0.46) 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 disclosed
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 disclosed