SCHEMBL14865356

SCHEMBL14865356

CCN(c1ccccc1)c1ccc(CNC(=S)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.52
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
CNR1 P21554 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
CTSL P07711 2/20 0.35
GRM5 P41594 1/20 0.35
F2 P00734 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL2810317 0.92 BDKRB1 (0.60) BDKRB1MAPK11MAPK14HDAC1HDAC6
SCHEMBL2806049 0.82 BDKRB1 (0.62) BDKRB1MAPK11MAPK14HDAC1HDAC6
SCHEMBL185457 0.80 BDKRB1 (0.49) BDKRB1HDAC1HDAC6CTSL
SCHEMBL2805903 0.74 BDKRB1 (0.63) BDKRB1MAPK11MAPK14CNR1CTSL
SCHEMBL2810040 0.74 BDKRB1 (0.58) BDKRB1MAPK11MAPK14CNR1CTSL
SCHEMBL2805998 0.73 BDKRB1 (0.57) BDKRB1MAPK11MAPK14CNR1CTSL
SCHEMBL764413 0.73 BDKRB1 (0.64) BDKRB1MAPK11MAPK14HDAC1HDAC6
SCHEMBL2548562 0.72 BDKRB1 (0.62) BDKRB1MAPK11MAPK14CNR1CTSL
SCHEMBL2806959 0.71 BDKRB1 (0.59) BDKRB1HDAC1HDAC6L3MBTL1SMN1; SMN2
SCHEMBL10121331 0.70 BDKRB1 (0.60) BDKRB1MAPK11MAPK14CNR1L3MBTL1

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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed