SCHEMBL4071639

SCHEMBL4071639

COc1cc2ccccc2cc1OC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.62
CCKAR P32238 12/20 0.62

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
SCHEMBL4072332 1.00 CCKBR (0.62) CCKBRCCKAR
SCHEMBL641975 0.86 CCKBR (0.68) CCKBRCCKAR
SCHEMBL643146 0.86 CCKBR (0.68) CCKBRCCKAR
SCHEMBL4420909 0.85 CCKBR (0.67) CCKBRCCKAR
SCHEMBL644305 0.84 CCKBR (0.69) CCKBRCCKAR
SCHEMBL3959444 0.80 CCKBR (0.72) CCKBRCCKAR
SCHEMBL642107 0.80 CCKBR (0.63) CCKBRCCKAR
SCHEMBL3966528 0.80 CCKBR (0.59) CCKBRCCKAR
SCHEMBL643149 0.80 CCKBR (0.63) CCKBRCCKAR
SCHEMBL3964535 0.80 CCKBR (0.58) CCKBRCCKAR

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-1727550-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-07-29 EP claimed