SCHEMBL29869065

SCHEMBL29869065

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.48
▸ NPY1R P25929 5/20 0.48
▸ NPY2R P49146 4/20 0.48
▸ NPY5R Q15761 4/20 0.48
▸ KEAP1 Q14145 1/20 0.47
▸ OPRM1 P35372 4/20 0.46
▸ OPRD1 P41143 4/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ FNTA P49354 3/20 0.46
▸ FNTB P49356 3/20 0.46
▸ PGGT1B P53609 3/20 0.46
▸ MME P08473 1/20 0.45
▸ IL23R Q5VWK5 1/20 0.44
▸ PTPN1 P18031 1/20 0.44

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
SCHEMBL29407334 1.00 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL29865541 0.94 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL31637483 0.94 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL29379909 0.93 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL30474503 0.92 KEAP1 (0.52) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL31095858 0.92 IL23R (0.48) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL29374250 0.92 IL23R (0.48) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL31181298 0.92 IL23R (0.52) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL30264901 0.91 FNTA (0.52) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29374559 0.90 PTGS1 (0.43) NPY4RNPY1RNPY2RNPY5RKEAP1

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
WO-2024073558-A2 COMPOSITIONS AND METHODS OF USE THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2024-04-04 — — WO disclosed
US-11421127-B2 Azlactone based thermally crosslinkable polymer coating for controlling cell behavior NATIONAL SCIENCE FOUNDATION 2022-08-23 — — US disclosed
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