SCHEMBL14865346

SCHEMBL14865346

CC(F)(F)c1ccccc1Nc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CCCCC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.42
CTSK P43235 1/20 0.39
CTSL P07711 6/20 0.38
CTSB P07858 5/20 0.37
CTSS P25774 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALPL P05186 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL2813315 0.94 BDKRB1 (0.42) BDKRB1CTSKCTSLCTSBCTSS
SCHEMBL2806425 0.89 BDKRB1 (0.45) BDKRB1KDM4EALDH1A1
SCHEMBL14856725 0.83 FAAH (0.45) MEN1KMT2ATDP1ALPL
SCHEMBL13128611 0.83 BDKRB1 (0.38) BDKRB1KDM4EALDH1A1
SCHEMBL13128609 0.82 BDKRB1 (0.38) BDKRB1ALDH1A1
SCHEMBL2809229 0.81 BDKRB1 (0.41) BDKRB1CYP3A4CYP2C9CYP2C19
SCHEMBL13128614 0.81 BDKRB1 (0.37) BDKRB1KDM4EALDH1A1
SCHEMBL2805859 0.81 BDKRB1 (0.41) BDKRB1
SCHEMBL2806522 0.80 BDKRB1 (0.41) BDKRB1
SCHEMBL13160124 0.80 BDKRB1 (0.40) BDKRB1CTSKCTSLCTSS

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