SCHEMBL5520577

SCHEMBL5520577

Cc1ccc(N2C=CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2CCOc3cc(CN4CCCCC4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.47
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL3533527 0.88 BDKRB1 (0.62) BDKRB1
SCHEMBL3604956 0.88 BDKRB1 (0.62) BDKRB1
SCHEMBL5517417 0.85 BDKRB1 (0.41) BDKRB1MEN1KMT2A
SCHEMBL3575337 0.82 BDKRB1 (0.54) BDKRB1
SCHEMBL3575330 0.82 BDKRB1 (0.54) BDKRB1
SCHEMBL3540231 0.75 BDKRB1 (0.75) BDKRB1
SCHEMBL3538641 0.75 BDKRB1 (0.75) BDKRB1
SCHEMBL3593440 0.73 BDKRB1 (0.55) BDKRB1
SCHEMBL3541261 0.73 BDKRB1 (0.77) BDKRB1
SCHEMBL3593445 0.73 BDKRB1 (0.55) 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