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SCHEMBL30282520

SCHEMBL30282520

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.55
▸ VIPR1 P32241 3/20 0.47
▸ NPY2R P49146 7/20 0.46
▸ NPY4R P50391 7/20 0.46
▸ NPY5R Q15761 7/20 0.46
▸ NPY1R P25929 5/20 0.46
▸ VIPR2 P41587 3/20 0.46
▸ RXFP1 Q9HBX9 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
SCHEMBL29940169 0.86 TFPI (0.51) TFPIVIPR1
SCHEMBL30512599 0.86 TFPI (0.56) TFPIVIPR1NPY2RNPY4RNPY5R
SCHEMBL30662321 0.85 TFPI (0.50) TFPIVIPR1NPY4RNPY5RNPY1R
SCHEMBL30432423 0.85 TFPI (0.61) TFPIVIPR1VIPR2RXFP1
SCHEMBL30905699 0.84 TFPI (0.53) TFPIVIPR1NPY2RNPY4RNPY5R
SCHEMBL30423734 0.84 NMT1 (0.50) TFPI
SCHEMBL30905693 0.84 TFPI (0.54) TFPIVIPR1NPY2RNPY4RNPY5R
SCHEMBL30140825 0.84 TFPI (0.52) TFPIVIPR1NPY2RNPY4RNPY5R
SCHEMBL30390160 0.83 NPY4R (0.47) NPY2RNPY4RNPY5RNPY1R
SCHEMBL30582929 0.83 NPY4R (0.47) NPY2RNPY4RNPY5RNPY1R

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-112730849-B Application of endogenous orphan enkephalin as serum biomarker for diabetes mellitus combined with asymptomatic myocardial ischemia 山西医科大学第二医院 2023-03-10 — — CN claimed
CN-112730849-B Application of endogenous orphan enkephalin as serum biomarker for diabetes mellitus combined with asymptomatic myocardial ischemia 山西医科大学第二医院 2023-03-10 — — CN disclosed
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