SCHEMBL4705076

SCHEMBL4705076

COc1ccc([C@@H](C)NC(=O)Oc2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL4703245 0.92 BDKRB1 (0.54) BDKRB1SMN1; SMN2MAPK1KMT2AF2
SCHEMBL4789160 0.92 BDKRB1 (0.61) BDKRB1SMN1; SMN2MAPK1RAB9AKMT2A
SCHEMBL4790151 0.92 BDKRB1 (0.61) BDKRB1SMN1; SMN2MAPK1RAB9AKMT2A
SCHEMBL4706286 0.91 BDKRB1 (0.53) BDKRB1SMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL4705721 0.91 BDKRB1 (0.53) BDKRB1SMN1; SMN2RAB9AKMT2ATAS1R3
SCHEMBL4701982 0.90 BDKRB1 (0.52) BDKRB1SMN1; SMN2MAPK1KMT2AF2
SCHEMBL6045959 0.88 BDKRB1 (0.56) BDKRB1SMN1; SMN2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL4703765 0.88 BDKRB1 (0.50) BDKRB1SMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL4705421 0.83 BDKRB1 (0.46) BDKRB1SMN1; SMN2KMT2AF2MAPT
SCHEMBL4704918 0.82 BDKRB1 (0.46) BDKRB1SMN1; SMN2ALDH1A1KMT2AF2

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