SCHEMBL2520201

SCHEMBL2520201

O=C(CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCCN1CCC(N2CCCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.55
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
SMYD2 Q9NRG4 1/20 0.41
MCHR1 Q99705 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL2517361 0.83 BDKRB1 (0.64) BDKRB1
SCHEMBL2521908 0.82 BDKRB1 (0.71) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2516768 0.79 BDKRB1 (0.70) BDKRB1
SCHEMBL2516340 0.78 BDKRB1 (0.81) BDKRB1
SCHEMBL2516339 0.78 BDKRB1 (0.81) BDKRB1
SCHEMBL2520326 0.78 BDKRB1 (0.59) BDKRB1
SCHEMBL2516990 0.77 BDKRB1 (0.60) BDKRB1
SCHEMBL2520202 0.76 BDKRB1 (0.53) BDKRB1
SCHEMBL2516994 0.75 BDKRB1 (0.58) BDKRB1
Hydrochloric Acid SCHEMBL2525420 0.75 BDKRB1 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034827-B2 Phenanthridine derivatives as bradykinin antagonists Richter Gegeon Nyrt. (HU) 2011-10-11 US disclosed