SCHEMBL20867183

SCHEMBL20867183

C[C@@H]1CN(c2cc(C#N)cnc2C(=N)OC(=N)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)CCO1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 16/20 0.49
▸ CCKAR P32238 4/20 0.49
▸ CCKBR P32239 2/20 0.45
▸ LRRK2 Q5S007 2/20 0.40
▸ STK3 Q13188 1/20 0.40
▸ STK26 Q9P289 1/20 0.40

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
SCHEMBL20866897 0.91 CCKBR (0.49) CBLBCCKARCCKBR
SCHEMBL20866898 0.91 CCKBR (0.49) CBLBCCKARCCKBR
SCHEMBL24611972 0.89 CBLB (0.50) CBLBCCKARCCKBR
SCHEMBL20866799 0.89 CBLB (0.50) CBLBCCKARCCKBR
SCHEMBL24611979 0.87 CCKBR (0.48) CBLBCCKARCCKBR
SCHEMBL20867298 0.87 CCKBR (0.48) CBLBCCKARCCKBR
SCHEMBL20866741 0.86 CBLB (0.52) CBLBCCKARCCKBRLRRK2
SCHEMBL20866746 0.84 CBLB (0.48) CBLBCCKARCCKBR
SCHEMBL20866747 0.84 CBLB (0.48) CBLBCCKARCCKBR
SCHEMBL20867291 0.83 CCKBR (0.48) 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 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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