SCHEMBL9554839

SCHEMBL9554839

C=CC(C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.32
▸ BACE1 P56817 12/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ CTSD P07339 2/20 0.31

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
SCHEMBL9554834 1.00 REN (0.32) RENBACE1BACE2CTSD
SCHEMBL9554656 0.88 REN (0.45) RENBACE1BACE2CTSD
SCHEMBL9554642 0.88 REN (0.45) RENBACE1BACE2CTSD
SCHEMBL9554637 0.88 CA2 (0.41) RENBACE1CTSD
SCHEMBL9555200 0.86 REN (0.41) RENCTSD
SCHEMBL9554322 0.86 REN (0.41) RENCTSD
SCHEMBL9554457 0.86 REN (0.41) RENCTSD
SCHEMBL10509223 0.82 REN (0.31) REN
SCHEMBL10511960 0.82 REN (0.31) REN
SCHEMBL9554946 0.81 REN (0.48) RENBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 — — US disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 — — EP disclosed
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