SCHEMBL4789563

SCHEMBL4789563

C[C@@H](CN(C)C)NC(=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.45
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 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
SCHEMBL4789942 1.00 BDKRB1 (0.45) BDKRB1HPGDSMN1; SMN2KMT2AF2
SCHEMBL4790303 1.00 BDKRB1 (0.45) BDKRB1HPGDSMN1; SMN2KMT2AF2
SCHEMBL4706713 0.92 BDKRB1 (0.43) BDKRB1HPGDSMN1; SMN2KMT2AF2
SCHEMBL4790472 0.92 BDKRB1 (0.45) BDKRB1HPGDSMN1; SMN2KMT2AF2
SCHEMBL4788554 0.91 BDKRB1 (0.44) BDKRB1HPGDSMN1; SMN2KMT2AF2
SCHEMBL4703365 0.90 BDKRB1 (0.46) BDKRB1HPGDSMN1; SMN2KMT2AF2
SCHEMBL4704918 0.90 BDKRB1 (0.46) BDKRB1HPGDSMN1; SMN2KMT2AF2
SCHEMBL4705095 0.89 BDKRB1 (0.50) BDKRB1HPGDSMN1; SMN2KMT2AF2
SCHEMBL6045922 0.87 BDKRB1 (0.48) BDKRB1HPGDSMN1; SMN2KMT2AF2
SCHEMBL6045839 0.87 BDKRB1 (0.48) BDKRB1HPGDSMN1; SMN2KMT2AF2

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