SCHEMBL3825530

SCHEMBL3825530

CN(CCS(C)(=O)=O)Cc1ccc(OC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)o1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.47
CCKAR P32238 12/20 0.47

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
SCHEMBL3827770 0.88 CCKBR (0.53) CCKBRCCKAR
SCHEMBL3828040 0.83 CCKBR (0.57) CCKBRCCKAR
SCHEMBL3962382 0.80 CCKBR (0.58) CCKBRCCKAR
SCHEMBL3823065 0.79 CBLB (0.54) CCKBRCCKAR
SCHEMBL3823353 0.78 CBLB (0.55) CCKBRCCKAR
SCHEMBL3828724 0.77 CBLB (0.55) CCKBRCCKAR
SCHEMBL3822275 0.76 CBLB (0.65) CCKBRCCKAR
SCHEMBL3960450 0.75 CCKBR (0.56) CCKBRCCKAR
SCHEMBL3971589 0.74 CCKBR (0.60) CCKBRCCKAR
SCHEMBL4420909 0.74 CCKBR (0.67) 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-1727551-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-09-09 EP claimed