SCHEMBL29635273

SCHEMBL29635273

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 4/20 0.54
▸ TFPI P10646 1/20 0.53
▸ IL23R Q5VWK5 1/20 0.52
▸ VIPR2 P41587 5/20 0.51
▸ NPY4R P50391 4/20 0.51
▸ VIPR1 P32241 3/20 0.51
▸ NPY1R P25929 3/20 0.51
▸ NPY2R P49146 3/20 0.51
▸ NPY5R Q15761 3/20 0.51
▸ KEAP1 Q14145 1/20 0.50

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
SCHEMBL30483971 0.88 NPY4R (0.55) VIPR2NPY4RVIPR1NPY1RNPY2R
SCHEMBL29635274 0.87 TFPI (0.55) OPRL1TFPIIL23RNPY4RNPY1R
SCHEMBL29364983 0.87 TFPI (0.63) TFPIVIPR2VIPR1
SCHEMBL31411175 0.86 TFPI (0.57) OPRL1TFPIIL23RVIPR2NPY4R
SCHEMBL31370896 0.86 TFPI (0.57) OPRL1TFPIIL23RVIPR2NPY4R
SCHEMBL30974623 0.85 TFPI (0.63) TFPIVIPR2VIPR1KEAP1
SCHEMBL30176485 0.85 VIPR2 (0.61) TFPIVIPR2NPY4RVIPR1NPY1R
SCHEMBL29373965 0.84 TFPI (0.60) TFPIIL23RVIPR2VIPR1KEAP1
SCHEMBL29512407 0.84 NPY4R (0.58) TFPIIL23RVIPR2NPY4RVIPR1
SCHEMBL29663842 0.84 TFPI (0.57) TFPINPY4RNPY1RNPY2RNPY5R

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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