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SCHEMBL29635274

SCHEMBL29635274

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.55
▸ NPY4R P50391 13/20 0.54
▸ NPY1R P25929 8/20 0.54
▸ NPY5R Q15761 7/20 0.54
▸ NPY2R P49146 4/20 0.54
▸ OPRL1 P41146 2/20 0.53
▸ IL23R Q5VWK5 1/20 0.51

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
SCHEMBL29663842 0.89 TFPI (0.57) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL30516190 0.88 NPY4R (0.57) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL29777861 0.87 TFPI (0.62) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL29635273 0.87 OPRL1 (0.54) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL31411175 0.87 TFPI (0.57) TFPINPY4RNPY1RNPY5ROPRL1
SCHEMBL31370896 0.87 TFPI (0.57) TFPINPY4RNPY1RNPY5ROPRL1
SCHEMBL30411494 0.86 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30521958 0.86 NPY4R (0.53) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL29429181 0.86 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30818270 0.86 TFPI (0.58) TFPIOPRL1IL23R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336652-A1 Peptide compounds targeting PD-1 receptor as well as preparation and applications thereof UNIV NANTONG (CN) 2024-10-10 — — US disclosed
WO-2022257831-A1 POLYPEPTIDE COMPOUNDS USING PD-1 RECEPTORS AS TARGETS, PREPARATION METHOD THEREFOR AND USE THEREOF 南通大学 2022-12-15 — — WO disclosed
CN-113416232-B Polypeptide compounds with PD-1 receptor as target spot, preparation method and application thereof 南通大学 2022-06-03 — — CN disclosed
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