SCHEMBL5507903

SCHEMBL5507903

N#CCN1CCN(C(=O)C[C@H]2C(=O)NC=CN2S(=O)(=O)c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.66
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.36

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
SCHEMBL5502868 0.86 BDKRB1 (0.73) BDKRB1KDM4EALDH1A1LMNAGAA
SCHEMBL4174733 0.83 BDKRB1 (0.69) BDKRB1KDM4EALDH1A1LMNAGAA
SCHEMBL3535337 0.83 BDKRB1 (0.51) BDKRB1
SCHEMBL5506530 0.82 BDKRB1 (0.68) BDKRB1KDM4EALDH1A1LMNAGAA
SCHEMBL4179697 0.80 BDKRB1 (0.84) BDKRB1
SCHEMBL4179702 0.80 BDKRB1 (0.84) BDKRB1
SCHEMBL4173172 0.79 BDKRB1 (1.00) BDKRB1
SCHEMBL4180236 0.79 BDKRB1 (1.00) BDKRB1
SCHEMBL5509025 0.79 BDKRB1 (0.76) BDKRB1ALDH1A1
SCHEMBL3535670 0.79 BDKRB1 (0.65) BDKRB1TSHR

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