SCHEMBL2520202

SCHEMBL2520202

CCC(NC(=O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)(N1CCCCC1)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.53
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 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
SCHEMBL2516994 0.79 BDKRB1 (0.58) BDKRB1CYP3A4GAACYP2C19
SCHEMBL2518523 0.78 BDKRB1 (0.55) BDKRB1CYP3A4GAACYP2C19
SCHEMBL2517774 0.78 BDKRB1 (0.55) BDKRB1CYP3A4GAACYP2C19
SCHEMBL2516990 0.78 BDKRB1 (0.60) BDKRB1
SCHEMBL2516340 0.77 BDKRB1 (0.81) BDKRB1
SCHEMBL2516339 0.77 BDKRB1 (0.81) BDKRB1
SCHEMBL2521908 0.76 BDKRB1 (0.71) BDKRB1CYP3A4CYP2C19
SCHEMBL2520201 0.76 BDKRB1 (0.55) BDKRB1
SCHEMBL2520245 0.72 BDKRB1 (0.51) BDKRB1
Hydrochloric Acid SCHEMBL2525420 0.72 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