SCHEMBL24612093

SCHEMBL24612093

CN(Cc1cccc(F)c1N1CCCCC1)C1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 6/20 0.42
▸ CCKAR P32238 5/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ CBLB Q13191 12/20 0.38

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
SCHEMBL24612102 0.91 CBLB (0.46) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612157 0.77 CCKBR (0.42) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612132 0.72 CCKBR (0.51) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612375 0.72 CCKBR (0.51) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612393 0.72 CCKAR (0.44) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24611903 0.71 CBLB (0.41) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24611848 0.70 CCKBR (0.48) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24611851 0.69 CCKBR (0.53) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612125 0.69 CCKBR (0.52) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612152 0.69 BACE1 (0.42) CCKBRCCKARMEN1KMT2ABACE1

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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