SCHEMBL3969962

SCHEMBL3969962

O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)Oc1cnccn1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.58
CCKAR P32238 12/20 0.58

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
SCHEMBL3966465 0.89 CCKBR (0.61) CCKBRCCKAR
SCHEMBL4420909 0.83 CCKBR (0.67) CCKBRCCKAR
SCHEMBL643117 0.83 CCKBR (0.67) CCKBRCCKAR
SCHEMBL3824472 0.82 CCKBR (0.51) CCKBRCCKAR
SCHEMBL644305 0.81 CCKBR (0.69) CCKBRCCKAR
SCHEMBL3824814 0.81 CCKBR (0.47) CCKBRCCKAR
SCHEMBL3823672 0.81 CCKBR (0.53) CCKBRCCKAR
SCHEMBL3968360 0.80 CCKBR (0.60) CCKBRCCKAR
SCHEMBL3970044 0.79 CCKBR (0.59) CCKBRCCKAR
SCHEMBL18394863 0.78 CCKBR (0.76) 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