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SCHEMBL30578757

SCHEMBL30578757

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.58
▸ NPY1R P25929 7/20 0.58
▸ NPY5R Q15761 7/20 0.58
▸ NPY2R P49146 4/20 0.58
▸ VIPR2 P41587 6/20 0.58
▸ VIPR1 P32241 4/20 0.57
▸ TFPI P10646 1/20 0.55

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
SCHEMBL30578760 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RVIPR2
SCHEMBL30578755 0.99 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RVIPR2
SCHEMBL30578761 0.99 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RVIPR2
SCHEMBL30578759 0.99 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RVIPR2
SCHEMBL30578763 0.99 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RVIPR2
SCHEMBL30578765 0.97 VIPR2 (0.60) NPY4RNPY1RNPY5RNPY2RVIPR2
SCHEMBL30578780 0.96 BACE1 (0.55) NPY4RNPY1RNPY5RNPY2RVIPR2
SCHEMBL30578764 0.96 BACE1 (0.55) NPY4RNPY1RNPY5RNPY2RVIPR2
SCHEMBL30433086 0.91 TFPI (0.64) NPY4RNPY1RNPY5RNPY2RVIPR2
SCHEMBL31255179 0.90 VIPR2 (0.69) VIPR2VIPR1TFPI

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-116804044-A Polypeptide for inhibiting H1N1 influenza virus and preparation method and application thereof 北京凯因格领生物技术有限公司 2023-09-26 — — CN claimed
CN-116804044-A Polypeptide for inhibiting H1N1 influenza virus and preparation method and application thereof 北京凯因格领生物技术有限公司 2023-09-26 — — CN disclosed
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