SCHEMBL4700948

SCHEMBL4700948

CC(C)(C)OC(=O)CCNC(=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.42
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
F2 P00734 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 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
SCHEMBL6045855 0.88 BDKRB1 (0.43) BDKRB1KMT2AMAPTF2HPGD
SCHEMBL4702475 0.86 BDKRB1 (0.42) BDKRB1KMT2AMAPTF2HPGD
SCHEMBL4788480 0.85 BDKRB1 (0.43) BDKRB1KMT2AMAPTF2HPGD
SCHEMBL4704544 0.85 BDKRB1 (0.44) BDKRB1KMT2AMAPTF2HPGD
SCHEMBL4706682 0.83 CYP1A2 (0.43) BDKRB1KMT2AMAPTF2HPGD
SCHEMBL4704165 0.83 BDKRB1 (0.40) BDKRB1KMT2AMAPTF2HPGD
SCHEMBL4789400 0.83 BDKRB1 (0.43) BDKRB1KMT2AMAPTF2HPGD
SCHEMBL4704880 0.82 SIGMAR1 (0.43) BDKRB1KMT2AMAPTF2HPGD
SCHEMBL4703831 0.81 HDAC3 (0.42) BDKRB1KMT2AMAPTF2HPGD
SCHEMBL4702172 0.81 BDKRB1 (0.47) BDKRB1KMT2AMAPTF2HPGD

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