SCHEMBL4705201

SCHEMBL4705201

O=C(NCCC1CCN(c2ccncc2)CC1)Oc1cc(NC(=O)c2ccccc2Cl)n(-c2ccccn2)n1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.66
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
F10 P00742 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM4 P08173 2/20 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
SCHEMBL4704252 0.91 BDKRB1 (0.64) BDKRB1CHRM4
SCHEMBL4700959 0.89 BDKRB1 (0.57) BDKRB1F10CHRM4
SCHEMBL4700707 0.88 BDKRB1 (0.57) BDKRB1F10CHRM4
SCHEMBL6046023 0.88 BDKRB1 (0.71) BDKRB1
SCHEMBL4702570 0.88 BDKRB1 (0.65) BDKRB1MEN1KMT2A
SCHEMBL4700946 0.87 BDKRB1 (0.57) BDKRB1MEN1KMT2ACHRM4
SCHEMBL4706708 0.86 BDKRB1 (0.55) BDKRB1F10KMT2ACHRM4
SCHEMBL4706219 0.84 BDKRB1 (0.70) BDKRB1F10MEN1KMT2ACHRM4
SCHEMBL4704818 0.84 BDKRB1 (0.79) BDKRB1F10MEN1KMT2ACHRM4
SCHEMBL6046111 0.79 BDKRB1 (0.84) BDKRB1MEN1KMT2ACHRM4

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