SCHEMBL6065542

SCHEMBL6065542

COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O.O=C(O)c1csc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.51
CCKAR P32238 12/20 0.51

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
SCHEMBL642940 0.90 CCKBR (0.59) CCKBRCCKAR
SCHEMBL642941 0.90 CCKBR (0.59) CCKBRCCKAR
SCHEMBL644101 0.82 CCKBR (0.70) CCKBRCCKAR
SCHEMBL6529319 0.79 CCKBR (0.41) CCKBRCCKAR
SCHEMBL642107 0.78 CCKBR (0.63) CCKBRCCKAR
SCHEMBL643979 0.78 CCKBR (0.64) CCKBRCCKAR
SCHEMBL643036 0.78 CCKBR (0.68) CCKBRCCKAR
SCHEMBL3959444 0.77 CCKBR (0.72) CCKBRCCKAR
SCHEMBL644206 0.77 CCKBR (0.59) CCKBRCCKAR
SCHEMBL642184 0.77 CCKBR (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727550-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP claimed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed