SCHEMBL13495487

SCHEMBL13495487

COc1cc(C)c(S(=O)(=O)N(C)Cc2nc(C(=O)I)co2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.39

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
SCHEMBL1935239 0.90 BDKRB1 (0.39) BDKRB1
SCHEMBL13495597 0.80 BDKRB1 (0.41) BDKRB1
SCHEMBL2237459 0.79 BDKRB1 (0.49) BDKRB1
SCHEMBL2234939 0.78 BDKRB1 (0.51) BDKRB1
SCHEMBL2235973 0.76 BDKRB1 (0.42) BDKRB1
SCHEMBL2237960 0.76 BDKRB1 (0.60) BDKRB1
SCHEMBL1935840 0.76 AVPR1B (0.38) BDKRB1
SCHEMBL2242237 0.75 BDKRB1 (0.61) BDKRB1
SCHEMBL12346871 0.75 BDKRB1 (0.41) BDKRB1
SCHEMBL1934609 0.75 KLKB1 (0.43) 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
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed