SCHEMBL4701827

SCHEMBL4701827

O=C(NC1CCCCN(CC2CC2)C1=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.43
RAMP1 O60894 1/20 0.41
CALCRL Q16602 1/20 0.41
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
FPR2 P25090 2/20 0.36
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
SRC P12931 2/20 0.34
MME P08473 1/20 0.34

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 0.90 BDKRB1 (0.43) BDKRB1CCNA2CDK2CCNA1KMT2A
SCHEMBL14084921 0.89 BDKRB1 (0.47) BDKRB1RAMP1CALCRLCCNA2CDK2
SCHEMBL4705761 0.89 BDKRB1 (0.42) BDKRB1RAMP1CALCRLITGB1ITGA4
SCHEMBL4705740 0.88 BDKRB1 (0.41) BDKRB1CALCRLCCNA2CDK2CCNA1
SCHEMBL4705710 0.87 BDKRB1 (0.46) BDKRB1CCNA2CDK2CCNA1KMT2A
SCHEMBL4702448 0.87 BDKRB1 (0.46) BDKRB1CCNA2CDK2CCNA1KMT2A
SCHEMBL4703537 0.85 BDKRB1 (0.44) BDKRB1CCNA2CDK2CCNA1KMT2A
SCHEMBL4701074 0.84 KDM2B (0.44) BDKRB1CCNA2CDK2CCNA1ITGB1
SCHEMBL4705006 0.81 BDKRB1 (0.65) BDKRB1CCNA2CDK2CCNA1FPR2
SCHEMBL4705242 0.81 BDKRB1 (0.65) BDKRB1CCNA2CDK2CCNA1FPR2

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