SCHEMBL20866627

SCHEMBL20866627

O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)C(=O)c1ccc(C(F)(F)F)cc1N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 7/20 0.59
▸ CCKAR P32238 6/20 0.59
▸ CBLB Q13191 10/20 0.56

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
SCHEMBL3825363 0.93 CCKBR (0.64) CCKBRCCKARCBLB
SCHEMBL3825368 0.93 CCKBR (0.64) CCKBRCCKARCBLB
SCHEMBL20098517 0.89 CCKAR (0.57) CCKBRCCKARCBLB
SCHEMBL3822839 0.88 CCKBR (0.64) CCKBRCCKARCBLB
SCHEMBL3822831 0.88 CCKBR (0.64) CCKBRCCKARCBLB
SCHEMBL20866745 0.87 CCKAR (0.53) CCKBRCCKARCBLB
SCHEMBL3823387 0.85 CCKBR (0.67) CCKBRCCKARCBLB
SCHEMBL3823384 0.85 CCKBR (0.67) CCKBRCCKARCBLB
SCHEMBL3824130 0.85 CCKBR (0.66) CCKBRCCKARCBLB
SCHEMBL3824134 0.85 CCKBR (0.66) CCKBRCCKARCBLB

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
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