SCHEMBL24612232

SCHEMBL24612232

N=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)OC(=N)c1nc(C2(C(F)(F)F)CCC2)sc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 10/20 0.46
▸ CCKAR P32238 7/20 0.41
▸ CCKBR P32239 7/20 0.41

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
SCHEMBL20866981 0.97 CBLB (0.47) CBLBCCKARCCKBR
SCHEMBL24611952 0.91 CBLB (0.48) CBLBCCKARCCKBR
SCHEMBL24612326 0.91 CBLB (0.48) CBLBCCKARCCKBR
SCHEMBL20867236 0.90 CBLB (0.47) CBLBCCKARCCKBR
SCHEMBL20867021 0.89 CBLB (0.46) CBLBCCKARCCKBR
SCHEMBL24612445 0.89 CBLB (0.48) CBLBCCKARCCKBR
SCHEMBL20867173 0.88 CBLB (0.45) CBLBCCKARCCKBR
SCHEMBL24612362 0.87 CBLB (0.50) CBLBCCKARCCKBR
SCHEMBL24612166 0.86 CBLB (0.48) CBLBCCKARCCKBR
SCHEMBL20867212 0.86 CBLB (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 1 patent. 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
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