SCHEMBL1935951

SCHEMBL1935951

COc1cc(C)c(S(=O)(=O)N(C)CCc2cc(C(=O)O)co2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.43
NR4A2 P43354 1/20 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
SCHEMBL1935740 0.90 NR4A2 (0.41) BDKRB1NR4A2
SCHEMBL1935234 0.88 BDKRB1 (0.41) BDKRB1
SCHEMBL1935570 0.82 BDKRB1 (0.37) BDKRB1NR4A2
SCHEMBL1936674 0.80 NR4A2 (0.39) BDKRB1NR4A2
SCHEMBL1935721 0.80 TAS2R14 (0.45) BDKRB1NR4A2
SCHEMBL1934444 0.78 L3MBTL1 (0.40) NR4A2
SCHEMBL1936152 0.78 CYP3A4 (0.41) BDKRB1
SCHEMBL1934593 0.78 AVPR1B (0.39) BDKRB1NR4A2
SCHEMBL1935571 0.78 MEN1 (0.44) NR4A2
SCHEMBL1934426 0.77 AVPR1B (0.42) BDKRB1NR4A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed