SCHEMBL30834754

SCHEMBL30834754

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.60
▸ NPY1R P25929 9/20 0.60
▸ NPY5R Q15761 8/20 0.60
▸ NPY2R P49146 5/20 0.60
▸ TFPI P10646 1/20 0.59
▸ BACE1 P56817 1/20 0.54

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
SCHEMBL30512654 0.92 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29548324 0.90 TFPI (0.63) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30844091 0.89 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30904845 0.87 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31419699 0.87 TFPI (0.71) TFPIBACE1
SCHEMBL31141451 0.87 TFPI (0.65) NPY4RNPY1RNPY5RTFPI
SCHEMBL29960067 0.87 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31269521 0.87 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30015428 0.86 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL22413050 0.86 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2RTFPI

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-20240310391-A1 HDL-ASSOCIATED PROTEIN EXTRACTION AND DETECTION CLEVELAND HEARTLAB, INC. (US) 2024-09-19 — — US disclosed
US-11940452-B2 HDL-associated protein extraction and detection CLEVELAND HEARTLAB, INC. (US) 2024-03-26 — — US disclosed
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