SCHEMBL4701564

SCHEMBL4701564

O=C(NCC1CCN(CCc2ccncc2)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.47
BDKRB1 P46663 14/20 0.46

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
SCHEMBL4789723 0.93 BDKRB1 (0.47) GSK3BBDKRB1
SCHEMBL4789665 0.93 BDKRB1 (0.53) BDKRB1
SCHEMBL4789977 0.89 BDKRB1 (0.46) GSK3BBDKRB1
SCHEMBL6046065 0.89 GSK3B (0.53) GSK3BBDKRB1
SCHEMBL4705398 0.88 BDKRB1 (0.59) BDKRB1
SCHEMBL4789233 0.87 BDKRB1 (0.47) BDKRB1
SCHEMBL4702356 0.87 BDKRB1 (0.56) GSK3BBDKRB1
SCHEMBL4789811 0.86 BDKRB1 (0.55) BDKRB1
SCHEMBL6046168 0.83 BDKRB1 (0.57) BDKRB1
SCHEMBL4790458 0.83 BDKRB1 (0.45) 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
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