SCHEMBL11568492

SCHEMBL11568492

CC(C)CC(C(=O)O)N(C(=O)OC(C)(C)C)C(=O)C(NC(=O)C(N)C(C)O)C(C)C.c1ccc2c(c1)C2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.36
▸ PSEN1 P49768 7/20 0.36
▸ PSEN2 P49810 7/20 0.36
▸ APH1B Q8WW43 7/20 0.36
▸ NCSTN Q92542 7/20 0.36
▸ APH1A Q96BI3 7/20 0.36
▸ PSENEN Q9NZ42 7/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ REN P00797 2/20 0.34

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
SCHEMBL11586504 0.75 CTSC (0.32) BACE1
SCHEMBL11568410 0.75 MME (0.46) BACE1
SCHEMBL11570840 0.73 CTSS (0.36) BACE1PSENENREN
SCHEMBL5328622 0.72 SLC1A3 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27766846 0.72 AAK1 (0.34) AAK1
SCHEMBL7269530 0.72 SLC7A5 (0.45) AAK1REN
SCHEMBL11567951 0.71 MMP1 (0.38) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL29706226 0.70 ERAP2 (0.36) BACE1AAK1
SCHEMBL10481476 0.69 CTSS (0.35) —
SCHEMBL3489862 0.68 ANPEP (0.47) REN

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
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 — — US disclosed
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