SCHEMBL3966426

SCHEMBL3966426

Cc1ccc2c(c1)NC(=O)C(NC(=O)Oc1cccs1)N=C2c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.53
CCKAR P32238 11/20 0.48
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
NOTCH1 P46531 1/20 0.44
NOTCH3 Q9UM47 1/20 0.44

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
SCHEMBL642854 0.85 CCKBR (0.55) CCKBRCCKAR
SCHEMBL3968115 0.83 MEN1 (0.56) CCKBRCCKAR
SCHEMBL1574481 0.82 BRD4 (0.62) CCKBRCCKARBRD4BRD2BRD3
SCHEMBL1574479 0.82 BRD4 (0.62) CCKBRCCKARBRD4BRD2BRD3
SCHEMBL641999 0.77 CCKBR (0.59) CCKBRCCKAR
SCHEMBL4420909 0.75 CCKBR (0.67) CCKBRCCKAR
SCHEMBL644305 0.74 CCKBR (0.69) CCKBRCCKAR
SCHEMBL642831 0.74 CCKBR (0.65) CCKBRCCKAR
SCHEMBL3183396 0.73 CCKBR (0.48) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL3962384 0.73 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 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