SCHEMBL4788554

SCHEMBL4788554

CCN(CC)C[C@@H](C)NC(=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.44
MAPT P10636 3/20 0.38
F2 P00734 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 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
SCHEMBL4790472 0.92 BDKRB1 (0.45) BDKRB1MAPTF2HPGDKMT2A
SCHEMBL4790303 0.91 BDKRB1 (0.45) BDKRB1MAPTF2HPGDKMT2A
SCHEMBL4789942 0.91 BDKRB1 (0.45) BDKRB1MAPTF2HPGDKMT2A
SCHEMBL4789563 0.91 BDKRB1 (0.45) BDKRB1MAPTF2HPGDKMT2A
SCHEMBL4706713 0.89 BDKRB1 (0.43) BDKRB1MAPTF2HPGDKMT2A
SCHEMBL4703365 0.88 BDKRB1 (0.46) BDKRB1MAPTF2HPGDKMT2A
SCHEMBL4704918 0.88 BDKRB1 (0.46) BDKRB1MAPTF2HPGDKMT2A
SCHEMBL6045797 0.87 BDKRB1 (0.47) BDKRB1MAPTF2HPGDKMT2A
SCHEMBL4705095 0.84 BDKRB1 (0.50) BDKRB1MAPTF2HPGDKMT2A
SCHEMBL4701888 0.83 BDKRB1 (0.45) BDKRB1MAPTF2HPGDKMT2A

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-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed