SCHEMBL3971816

SCHEMBL3971816

O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)ON1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.60
CCKAR P32238 9/20 0.60
CBLB Q13191 3/20 0.54

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
SCHEMBL3968844 0.90 CBLB (0.65) CCKBRCCKARCBLB
SCHEMBL3969425 0.89 MEN1 (0.55) CCKBRCCKAR
SCHEMBL642830 0.84 CCKBR (0.63) CCKBRCCKARCBLB
Cyclohexane SCHEMBL3966556 0.84 CCKBR (0.71) CCKBRCCKAR
SCHEMBL4420909 0.83 CCKBR (0.67) CCKBRCCKAR
SCHEMBL644305 0.82 CCKBR (0.69) CCKBRCCKAR
SCHEMBL3828471 0.82 CCKBR (0.51) CCKBRCCKARCBLB
SCHEMBL3828724 0.81 CBLB (0.55) CCKBRCCKARCBLB
SCHEMBL3823353 0.80 CBLB (0.55) CCKBRCCKARCBLB
SCHEMBL18394863 0.80 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