SCHEMBL4706569

SCHEMBL4706569

O=C(NCCc1ccc(O)cc1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.51
ITGB1 P05556 5/20 0.47
ITGA4 P13612 5/20 0.47
ITGB7 P26010 5/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
GFER P55789 1/20 0.41
MT-CO2 P00403 1/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4700941 0.91 BDKRB1 (0.62) BDKRB1ITGB1ITGA4ITGB7RAB9A
SCHEMBL4705722 0.89 BDKRB1 (0.48) BDKRB1ITGB1ITGA4ITGB7RAB9A
SCHEMBL6045816 0.87 BDKRB1 (0.56) BDKRB1ITGB1ITGA4ITGB7RAB9A
SCHEMBL4704544 0.86 BDKRB1 (0.44) BDKRB1ITGB1ITGA4ITGB7KMT2A
SCHEMBL4705797 0.86 BDKRB1 (0.44) BDKRB1ITGB1ITGA4ITGB7GFER
SCHEMBL4705143 0.86 BDKRB1 (0.49) BDKRB1ITGB1ITGA4ITGB7RAB9A
SCHEMBL4788480 0.85 BDKRB1 (0.43) BDKRB1ITGB1ITGA4ITGB7RAB9A
SCHEMBL4706254 0.84 BDKRB1 (0.46) BDKRB1ITGB1ITGA4ITGB7RAB9A
SCHEMBL4702475 0.84 BDKRB1 (0.42) BDKRB1ITGB1ITGA4ITGB7KMT2A
SCHEMBL4704049 0.84 BDKRB1 (0.43) BDKRB1ITGB1ITGA4ITGB7RAB9A

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