SCHEMBL29678408

SCHEMBL29678408

CCCC[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.45
▸ PSEN2 P49810 2/20 0.45
▸ APH1B Q8WW43 2/20 0.45
▸ NCSTN Q92542 2/20 0.45
▸ APH1A Q96BI3 2/20 0.45
▸ PSENEN Q9NZ42 2/20 0.45
▸ BACE1 P56817 2/20 0.45
▸ BACE2 Q9Y5Z0 1/20 0.45

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
SCHEMBL29973318 0.95 BACE1 (0.46) BACE1BACE2
SCHEMBL38650823 0.95 BACE1 (0.44) BACE1BACE2
SCHEMBL38656914 0.93 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29678374 0.88 OPRM1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL38651067 0.86 KISS1R (0.43) BACE1BACE2
SCHEMBL31230203 0.81 OPRM1 (0.60) BACE1BACE2
SCHEMBL29678561 0.81 CCKAR (0.51) —
SCHEMBL29678509 0.80 NPY4R (0.60) —
SCHEMBL31554789 0.78 BACE1 (0.57) BACE1BACE2
SCHEMBL29388869 0.77 GHSR (0.53) BACE1BACE2

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-11352391-B2 Compositions for inducing urinary voiding and defecation DIGNIFY THERAPEUTICS, LLC (US) 2022-06-07 — — US disclosed
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