SCHEMBL13160643

SCHEMBL13160643

Nc1cc(Cl)ccc1Nc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.49
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
CTSL P07711 1/20 0.41
CTSK P43235 1/20 0.41
CNR1 P21554 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
NAMPT P43490 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
SCHEMBL13128566 0.86 BDKRB1 (0.47) BDKRB1CTSLCTSKCNR1TSHR
SCHEMBL13160237 0.84 BDKRB1 (0.49) BDKRB1NAMPT
SCHEMBL2811075 0.83 BDKRB1 (0.57) BDKRB1HDAC1HDAC3HDAC2HDAC6
SCHEMBL14865428 0.81 BDKRB1 (0.53) BDKRB1HDAC1CNR1NAMPT
SCHEMBL2807548 0.81 BDKRB1 (0.53) BDKRB1CNR1TSHRNAMPTMEN1
SCHEMBL2807389 0.80 BDKRB1 (0.42) BDKRB1CNR1HTTKMT2A
SCHEMBL2805903 0.80 BDKRB1 (0.63) BDKRB1CTSLCTSKCNR1HTT
SCHEMBL14865456 0.79 BDKRB1 (0.59) BDKRB1HDAC1NAMPTMEN1KMT2A
SCHEMBL2805104 0.79 BDKRB1 (0.56) BDKRB1CNR1NAMPT
SCHEMBL2805619 0.79 BDKRB1 (0.40) 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-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed