SCHEMBL4704074

SCHEMBL4704074

Cn1nc(OC(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)cc1NC(=O)c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.65
BDKRB1 P46663 1/20 0.57
CCKAR P32238 10/20 0.51
CBLB Q13191 1/20 0.49

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
SCHEMBL4703582 0.91 CCKBR (0.63) CCKBRBDKRB1CCKARCBLB
SCHEMBL6045926 0.87 CCKBR (0.72) CCKBRBDKRB1CCKAR
SCHEMBL4705683 0.87 CCKBR (0.64) CCKBRBDKRB1CCKARCBLB
SCHEMBL4704015 0.84 CCKBR (0.62) CCKBRBDKRB1CCKARCBLB
SCHEMBL6045943 0.82 CCKBR (0.71) CCKBRBDKRB1CCKAR
SCHEMBL9524959 0.80 CCKBR (1.00) CCKBRBDKRB1CCKARCBLB
SCHEMBL643128 0.80 CCKBR (1.00) CCKBRBDKRB1CCKARCBLB
SCHEMBL4704894 0.80 CCKBR (0.65) CCKBRBDKRB1CCKAR
SCHEMBL4704031 0.79 CCKBR (0.67) CCKBRBDKRB1CCKAR
SCHEMBL4705743 0.79 CCKBR (0.67) CCKBRBDKRB1CCKAR

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