SCHEMBL4753704

SCHEMBL4753704

Cc1cc(S(=O)(=O)N2C=CN(C3CCCNCC3)C(=O)[C@H]2CC(=O)NOC(=O)C(F)(F)F)c(C)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.46
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
EPHX2 P34913 1/20 0.32
GPR6 P46095 1/20 0.32
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NOD2 Q9HC29 1/20 0.30
F2 P00734 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL4753701 0.72 BDKRB1 (0.65) BDKRB1
SCHEMBL4753707 0.66 BDKRB1 (0.47) BDKRB1MEN1KMT2AHCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL4179755 0.63 BDKRB1 (0.62) BDKRB1
Trifluoroacetic Acid SCHEMBL4179700 0.63 BDKRB1 (0.62) BDKRB1
SCHEMBL4179696 0.63 BDKRB1 (1.00) BDKRB1
SCHEMBL4180634 0.63 BDKRB1 (1.00) BDKRB1
SCHEMBL4172026 0.62 BDKRB1 (0.71) BDKRB1
SCHEMBL4421509 0.61 BDKRB1 (0.48) BDKRB1ALDH1A1
SCHEMBL4418718 0.61 BDKRB1 (0.48) BDKRB1ALDH1A1
Trifluoroacetic Acid SCHEMBL4172331 0.60 BDKRB1 (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP claimed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO claimed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO disclosed