SCHEMBL4789977

SCHEMBL4789977

O=C(NC1CCN(CCc2ccncc2)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.46
SIGMAR1 Q99720 2/20 0.41
DRD4 P21917 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3B P49841 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 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
SCHEMBL4790289 0.93 SIGMAR1 (0.48) BDKRB1SIGMAR1DRD4MEN1KMT2A
SCHEMBL4701564 0.89 GSK3B (0.47) BDKRB1GSK3B
SCHEMBL6045909 0.89 BDKRB1 (0.50) BDKRB1DRD4MEN1KMT2A
SCHEMBL4789665 0.88 BDKRB1 (0.53) BDKRB1
SCHEMBL4788391 0.88 BDKRB1 (0.42) BDKRB1SIGMAR1MEN1KMT2AITGB1
SCHEMBL4700955 0.87 SIGMAR1 (0.48) SIGMAR1DRD4MEN1KMT2A
SCHEMBL4700783 0.86 BDKRB1 (0.53) BDKRB1MEN1KMT2A
SCHEMBL4701724 0.86 BDKRB1 (0.42) BDKRB1MEN1KMT2A
SCHEMBL4704842 0.86 DRD4 (0.46) SIGMAR1DRD4
SCHEMBL4705037 0.86 DRD4 (0.46) SIGMAR1DRD4

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