Sugi Predict

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SCHEMBL5129901

SCHEMBL5129901

COc1cccc(-c2cc(C3(c4ccc5c(c4)CCO5)N=C(N)N(C)C3=O)ccc2F)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.61
▸ BACE2 Q9Y5Z0 11/20 0.61
▸ CTSD P07339 11/20 0.61
▸ REN P00797 1/20 0.50

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
SCHEMBL5129942 0.96 BACE1 (0.56) BACE1BACE2CTSDREN
SCHEMBL4511016 0.94 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL4527068 0.90 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL4733573 0.90 BACE1 (0.75) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4526204 0.89 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL8186006 0.88 BACE1 (0.54) BACE1BACE2CTSDREN
Hydrochloric Acid SCHEMBL4786576 0.87 BACE1 (0.53) BACE1BACE2CTSDREN
SCHEMBL5139272 0.86 BACE1 (0.60) BACE1BACE2CTSDREN
SCHEMBL4518202 0.85 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL5132684 0.85 BACE1 (0.57) BACE1BACE2CTSDREN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 — — WO claimed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed