SCHEMBL30887063

SCHEMBL30887063

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.43
▸ GSTK1 Q9Y2Q3 1/20 0.43
▸ NPY4R P50391 11/20 0.41
▸ NPY1R P25929 6/20 0.41
▸ NPY2R P49146 5/20 0.41
▸ NPY5R Q15761 5/20 0.41
▸ IL23R Q5VWK5 4/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ QRFPR Q96P65 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37

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
SCHEMBL9446431 0.94 NPY4R (0.41) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL31696712 0.92 NPY4R (0.43) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL14027228 0.89 NPY4R (0.40) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL30753508 0.88 PTGS1 (0.43) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL29493538 0.87 GNPAT (0.40) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL30887059 0.87 OPRL1 (0.42) NPY4RNPY1RNPY2RNPY5RIL23R
SCHEMBL30695170 0.86 PTGS1 (0.43) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL30753507 0.86 PTGS1 (0.40) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL29647783 0.86 PTGS1 (0.40) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL25639021 0.86 PTGS1 (0.40) PTGS1GSTK1NPY4RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164663-B Polypeptide compound, composition and use thereof 青岛双元泰和药业有限公司 2024-05-10 — — CN disclosed
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