SCHEMBL20867063

SCHEMBL20867063

COC1C2CN(c3cc(C(F)(F)F)cnc3C(=N)OC(=N)N[C@H]3N=C(c4ccccc4)c4ccccc4NC3=O)CC21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 8/20 0.48
▸ CCKAR P32238 7/20 0.48
▸ NOTCH1 P46531 8/20 0.42
▸ RBPJ Q06330 3/20 0.42
▸ NOTCH3 Q9UM47 5/20 0.40
▸ CBLB Q13191 1/20 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
SCHEMBL20867294 0.93 CCKBR (0.49) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL20867175 0.89 CCKBR (0.48) CCKBRCCKARNOTCH1RBPJ
SCHEMBL24612175 0.89 CCKBR (0.48) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20866910 0.88 CCKAR (0.49) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL24612196 0.88 CCKBR (0.50) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL20866768 0.88 CCKBR (0.50) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL20867269 0.87 CCKBR (0.51) CCKBRCCKARNOTCH1RBPJCBLB
SCHEMBL24611972 0.87 CBLB (0.50) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL20866799 0.87 CBLB (0.50) CCKBRCCKARNOTCH1RBPJNOTCH3
SCHEMBL20867031 0.87 CCKAR (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 — — EP disclosed
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 — — WO disclosed
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