SCHEMBL4701967

SCHEMBL4701967

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.57
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 3/20 0.39
FPR2 P25090 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE5A O76074 1/20 0.37
NPC1 O15118 2/20 0.37
CHEK1 O14757 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
CCR2 P41597 1/20 0.36

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
SCHEMBL4705179 0.89 BDKRB1 (0.56) BDKRB1ALDH1A1KDM4ERAB9AFPR2
SCHEMBL14084995 0.86 BDKRB1 (0.63) BDKRB1ALDH1A1KDM4ERAB9AMEN1
SCHEMBL4701844 0.84 BDKRB1 (0.42) BDKRB1RAB9AMEN1KMT2ACHEK1
SCHEMBL4705242 0.82 BDKRB1 (0.65) BDKRB1ALDH1A1KDM4ERAB9AFPR2
SCHEMBL4705006 0.82 BDKRB1 (0.65) BDKRB1ALDH1A1KDM4ERAB9AFPR2
SCHEMBL4700940 0.79 BDKRB1 (0.75) BDKRB1ALDH1A1KDM4E
SCHEMBL4705645 0.79 BDKRB1 (0.41) BDKRB1ALDH1A1MEN1KMT2A
SCHEMBL14084773 0.77 BDKRB1 (0.61) BDKRB1ALDH1A1KDM4ERAB9ACHEK1
SCHEMBL6047124 0.77 BDKRB1 (0.61) BDKRB1ALDH1A1KDM4ERAB9ACHEK1
SCHEMBL4705164 0.75 BDKRB1 (0.51) BDKRB1ALDH1A1KDM4ECHEK1

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