SCHEMBL4705740

SCHEMBL4705740

CN(C)CCN1CCCCC(NC(=O)Oc2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.41
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
SRC P12931 2/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
F2 P00734 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CALCRL Q16602 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33

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
SCHEMBL4705090 0.92 BDKRB1 (0.43) BDKRB1CCNA2CDK2CCNA1SRC
SCHEMBL6045979 0.90 BDKRB1 (0.45) BDKRB1CCNA2CDK2CCNA1SRC
SCHEMBL14084931 0.90 BDKRB1 (0.45) BDKRB1CCNA2CDK2CCNA1SRC
SCHEMBL4705761 0.89 BDKRB1 (0.42) BDKRB1SRCCALCRLITGB1ITGA4
SCHEMBL4701827 0.88 BDKRB1 (0.43) BDKRB1CCNA2CDK2CCNA1SRC
SCHEMBL4705710 0.88 BDKRB1 (0.46) BDKRB1CCNA2CDK2CCNA1SMN1; SMN2
SCHEMBL4702448 0.88 BDKRB1 (0.46) BDKRB1CCNA2CDK2CCNA1SMN1; SMN2
SCHEMBL4703537 0.85 BDKRB1 (0.44) BDKRB1CCNA2CDK2CCNA1SMN1; SMN2
SCHEMBL6046004 0.81 BDKRB1 (0.47) BDKRB1CCNA2CDK2CCNA1SRC
SCHEMBL14084917 0.81 BDKRB1 (0.47) BDKRB1CCNA2CDK2CCNA1SRC

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