SCHEMBL3827059

SCHEMBL3827059

O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1occc1CN1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 19/20 0.77
CCKAR P32238 3/20 0.61
CCKBR P32239 1/20 0.55

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
SCHEMBL3823622 0.86 CBLB (0.69) CBLBCCKARCCKBR
SCHEMBL5606392 0.83 CBLB (0.74) CBLBCCKARCCKBR
SCHEMBL3824114 0.81 CBLB (0.72) CBLBCCKARCCKBR
SCHEMBL3824525 0.81 CBLB (0.72) CBLBCCKARCCKBR
SCHEMBL3824081 0.81 CBLB (0.75) CBLBCCKARCCKBR
SCHEMBL3824319 0.79 CBLB (0.77) CBLBCCKARCCKBR
SCHEMBL643303 0.79 CBLB (0.68) CBLBCCKARCCKBR
SCHEMBL3824296 0.78 CBLB (0.75) CBLBCCKARCCKBR
SCHEMBL3823569 0.77 CBLB (0.66) CBLBCCKARCCKBR
SCHEMBL3822275 0.77 CBLB (0.65) CBLBCCKARCCKBR

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 disclosed