SCHEMBL20867029

SCHEMBL20867029

N=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)OC(=N)c1ncc(C(F)(F)F)cc1N1C2CCC1COC2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 7/20 0.48
▸ CCKBR P32239 7/20 0.48
▸ CBLB Q13191 7/20 0.40
▸ NOTCH1 P46531 3/20 0.39
▸ NOTCH3 Q9UM47 3/20 0.39

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
SCHEMBL24612193 0.96 CCKAR (0.48) CCKARCCKBRCBLBNOTCH1NOTCH3
SCHEMBL20867269 0.89 CCKBR (0.51) CCKARCCKBRCBLBNOTCH1
SCHEMBL20867180 0.88 CCKBR (0.50) CCKARCCKBRNOTCH1
SCHEMBL20867088 0.88 CCKAR (0.50) CCKARCCKBRCBLB
SCHEMBL20867031 0.88 CCKAR (0.50) CCKARCCKBRCBLB
SCHEMBL20867291 0.88 CCKBR (0.48) CCKARCCKBRCBLB
SCHEMBL20866910 0.87 CCKAR (0.49) CCKARCCKBRCBLBNOTCH1NOTCH3
SCHEMBL20867036 0.86 CCKBR (0.53) CCKARCCKBRNOTCH1NOTCH3
SCHEMBL24612042 0.86 CCKBR (0.53) CCKARCCKBRNOTCH1NOTCH3
SCHEMBL24612300 0.85 CBLB (0.52) CCKARCCKBRCBLBNOTCH1

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
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 — — WO disclosed
Send feedback