SCHEMBL24612393

SCHEMBL24612393

CN(Cc1ncc(F)cc1N1CCOCC1)C1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 4/20 0.44
▸ CCKBR P32239 3/20 0.44
▸ CBLB Q13191 14/20 0.42
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL24612099 0.88 CBLB (0.41) CCKARCCKBRCBLBMEN1ALDH1A1
SCHEMBL24612102 0.81 CBLB (0.46) CCKARCCKBRCBLBMEN1ALDH1A1
SCHEMBL24611903 0.80 CBLB (0.41) CCKARCCKBRCBLBMEN1ALDH1A1
SCHEMBL18395704 0.80 CBLB (0.45) CCKARCCKBRCBLB
SCHEMBL24612409 0.80 CCKBR (0.41) CCKARCCKBRCBLBMEN1ALDH1A1
SCHEMBL20866624 0.75 CBLB (0.49) CCKARCCKBRCBLB
SCHEMBL24612361 0.75 CBLB (0.41) CCKARCCKBRCBLBMEN1ALDH1A1
SCHEMBL18394969 0.74 CBLB (0.45) CCKARCCKBRCBLB
SCHEMBL18395705 0.74 CBLB (0.54) CCKARCCKBRCBLB
SCHEMBL18394973 0.74 CBLB (0.45) CCKARCCKBRCBLB

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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