SCHEMBL4701059

SCHEMBL4701059

O=C(NCCC1CCN(c2ccncc2)CC1)Oc1nn(-c2cccc(C(F)(F)F)c2)c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.66
CHRM4 P08173 2/20 0.41
CHRM2 P08172 1/20 0.40
F10 P00742 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL4705088 0.91 BDKRB1 (0.78) BDKRB1CHRM4CHRM2
SCHEMBL6046155 0.89 BDKRB1 (0.82) BDKRB1CHRM4CHRM2KMT2A
SCHEMBL4704946 0.89 BDKRB1 (0.70) BDKRB1CHRM4CHRM2F10
SCHEMBL4706708 0.86 BDKRB1 (0.55) BDKRB1CHRM4CHRM2F10KMT2A
SCHEMBL4702923 0.86 BDKRB1 (0.68) BDKRB1CHRM4F10
SCHEMBL4704818 0.86 BDKRB1 (0.79) BDKRB1CHRM4F10KMT2A
SCHEMBL4703716 0.85 BDKRB1 (0.78) BDKRB1F10
SCHEMBL4702546 0.84 BDKRB1 (0.65) BDKRB1CHRM2
SCHEMBL4700827 0.83 BDKRB1 (0.69) BDKRB1CHRM4
SCHEMBL4706639 0.83 BDKRB1 (0.64) BDKRB1CHRM4F10

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