SCHEMBL13495682

SCHEMBL13495682

COc1cc(C)c(S(=O)(=O)N(C)Cc2nnc(C(=O)N3CCN(Cc4cnc[nH]4)CC3)o2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.42
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL2242234 0.85 BDKRB1 (0.42) BDKRB1KCNH2MCHR1
SCHEMBL2237788 0.84 BDKRB1 (0.44) BDKRB1KCNH2MCHR1
SCHEMBL1935724 0.83 BDKRB1 (0.45) BDKRB1KCNH2MCHR1
SCHEMBL2235289 0.82 BDKRB1 (0.42) BDKRB1KCNH2MCHR1
SCHEMBL12347367 0.82 MCHR1 (0.46) BDKRB1KCNH2MCHR1
SCHEMBL2236179 0.82 BDKRB1 (0.52) BDKRB1KCNH2MCHR1
SCHEMBL2239167 0.81 KMT2A (0.45) BDKRB1KCNH2MCHR1
SCHEMBL2242698 0.81 BDKRB1 (0.62) BDKRB1KCNH2MCHR1
SCHEMBL2242580 0.81 BDKRB1 (0.42) BDKRB1KCNH2MCHR1
SCHEMBL12347414 0.80 BDKRB1 (0.59) BDKRB1KCNH2MCHR1

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