SCHEMBL4753707

SCHEMBL4753707

Cc1cc(S(=O)(=O)N2C=CNC(=O)[C@H]2C(OC(=O)C(F)(F)F)C(=O)N[C@H]2CCCNCC2)c(C)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.47
L3MBTL1 Q9Y468 1/20 0.33
GPR6 P46095 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NOD2 Q9HC29 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL4179704 0.88 BDKRB1 (0.49) BDKRB1L3MBTL1GPR6ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL4753701 0.79 BDKRB1 (0.65) BDKRB1
Trifluoroacetic Acid SCHEMBL4179700 0.67 BDKRB1 (0.62) BDKRB1
SCHEMBL4753704 0.66 BDKRB1 (0.46) BDKRB1GPR6ALDH1A1LMNASMN1; SMN2
SCHEMBL4178148 0.65 BDKRB1 (0.69) BDKRB1
SCHEMBL4180634 0.64 BDKRB1 (1.00) BDKRB1
SCHEMBL4179696 0.64 BDKRB1 (1.00) BDKRB1
SCHEMBL3537784 0.62 BDKRB1 (0.69) BDKRB1
Trifluoroacetic Acid SCHEMBL4172331 0.61 BDKRB1 (0.79) BDKRB1
SCHEMBL4168680 0.61 BDKRB1 (0.82) 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