SCHEMBL29595771

SCHEMBL29595771

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.46
▸ BACE1 P56817 12/20 0.44
▸ CTSD P07339 4/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ NPY4R P50391 3/20 0.41
▸ NPY1R P25929 2/20 0.41
▸ NPY2R P49146 2/20 0.41
▸ NPY5R Q15761 2/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ PTH1R Q03431 1/20 0.40

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
SCHEMBL29595332 0.96 TFPI (0.46) TFPIBACE1CTSDKEAP1PTH1R
SCHEMBL29595513 0.94 TFPI (0.43) TFPIBACE1CTSDKEAP1NPY4R
SCHEMBL29736066 0.94 KEAP1 (0.49) TFPIKEAP1NPY4RNPY1RNPY2R
SCHEMBL29736168 0.92 KEAP1 (0.47) TFPIBACE1CTSDKEAP1NPY4R
SCHEMBL31410857 0.91 RXFP1 (0.47) TFPIBACE1PTH1R
SCHEMBL29435830 0.90 TFPI (0.56) TFPIBACE1CTSDNPY4RNPY1R
SCHEMBL29637250 0.89 KEAP1 (0.45) BACE1CTSDKEAP1NPY4RNPY1R
SCHEMBL29736056 0.89 TFPI (0.46) TFPIKEAP1
SCHEMBL29736145 0.89 TFPI (0.46) TFPIKEAP1
SCHEMBL29735980 0.88 KEAP1 (0.47) TFPIBACE1CTSDKEAP1NPY4R

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
CN-111825745-B Immunoregulatory active heptapeptide and preparation method and application thereof 中国科学院华南植物园 2022-03-04 — — CN claimed
CN-111825745-B Immunoregulatory active heptapeptide and preparation method and application thereof 中国科学院华南植物园 2022-03-04 — — CN disclosed
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