SCHEMBL24612137

SCHEMBL24612137

O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ncc(C3CCCCC3)cc2N2CCOCC2)o1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 15/20 0.42
▸ CCKAR P32238 5/20 0.36
▸ CCKBR P32239 3/20 0.36

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
SCHEMBL20098157 1.00 CBLB (0.42) CBLBCCKARCCKBR
SCHEMBL20098514 0.96 CBLB (0.44) CBLBCCKARCCKBR
SCHEMBL21117277 0.89 CBLB (0.45) CBLBCCKARCCKBR
SCHEMBL20098403 0.88 CBLB (0.44) CBLBCCKARCCKBR
SCHEMBL18394969 0.88 CBLB (0.45) CBLBCCKARCCKBR
SCHEMBL18394973 0.88 CBLB (0.45) CBLBCCKARCCKBR
SCHEMBL24612109 0.88 CBLB (0.45) CBLBCCKARCCKBR
SCHEMBL24611907 0.88 CBLB (0.45) CBLBCCKARCCKBR
SCHEMBL20098467 0.88 CBLB (0.45) CBLBCCKARCCKBR
SCHEMBL20098252 0.86 CCKBR (0.44) 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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