SCHEMBL4704252

SCHEMBL4704252

O=C(NCCC1CCN(c2ccncc2)CC1)Oc1cc(NC(=O)c2ccccc2Cl)n(-c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.64
GRM5 P41594 1/20 0.46
NTRK1 P04629 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM2 P08172 1/20 0.41

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
SCHEMBL4700707 0.94 BDKRB1 (0.57) BDKRB1GRM5NTRK1CHRM4CHRM2
SCHEMBL4700959 0.93 BDKRB1 (0.57) BDKRB1GRM5CHRM4
SCHEMBL4700946 0.93 BDKRB1 (0.57) BDKRB1GRM5NTRK1CHRM4
SCHEMBL4706708 0.92 BDKRB1 (0.55) BDKRB1NTRK1CHRM4CHRM2
SCHEMBL4705201 0.91 BDKRB1 (0.66) BDKRB1CHRM4
SCHEMBL4702570 0.91 BDKRB1 (0.65) BDKRB1
SCHEMBL6046064 0.87 BDKRB1 (0.70) BDKRB1NTRK1
SCHEMBL4705088 0.83 BDKRB1 (0.78) BDKRB1CHRM4CHRM2
SCHEMBL4700827 0.83 BDKRB1 (0.69) BDKRB1NTRK1CHRM4
SCHEMBL6046091 0.81 BDKRB1 (0.62) BDKRB1NTRK1

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