SCHEMBL4701844

SCHEMBL4701844

Cn1nc(OC(=O)N[C@@H]2CCCCNC2)c(Br)c1NC(=O)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NTRK1 P04629 5/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHEK1 O14757 1/20 0.36
POLB P06746 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
DRD4 P21917 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
SCHEMBL14085017 0.86 BDKRB1 (0.55) BDKRB1MEN1KMT2ANTRK1RAB9A
SCHEMBL4701967 0.84 BDKRB1 (0.57) BDKRB1ITGB1ITGA4ITGB7MEN1
SCHEMBL4789701 0.82 BDKRB1 (0.46) BDKRB1ITGB1ITGA4ITGB7KMT2A
SCHEMBL14084948 0.74 BDKRB1 (0.49) BDKRB1NTRK1RAB9ATDP1CHEK1
SCHEMBL4700629 0.74 BDKRB1 (0.49) BDKRB1NTRK1RAB9ATDP1CHEK1
SCHEMBL4705645 0.74 BDKRB1 (0.41) BDKRB1MEN1KMT2APOLB
SCHEMBL4705179 0.73 BDKRB1 (0.56) BDKRB1ITGB1ITGA4ITGB7RAB9A
SCHEMBL4790284 0.72 ITGB1 (0.49) BDKRB1ITGB1ITGA4ITGB7RAB9A
SCHEMBL14084995 0.72 BDKRB1 (0.63) BDKRB1MEN1KMT2ARAB9ACHEK1
SCHEMBL4704306 0.72 BDKRB1 (0.45) 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