SCHEMBL29655812

SCHEMBL29655812

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
GSTK1 Q9Y2Q3 1/20 0.44
NPY4R P50391 14/20 0.42
NPY1R P25929 8/20 0.42
NPY5R Q15761 6/20 0.42
NPY2R P49146 5/20 0.42
GLO1 Q04760 1/20 0.42
NOD1 Q9Y239 2/20 0.41
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL29655852 1.00 PTGS1 (0.44) PTGS1GSTK1NPY4RNPY1RNPY5R
SCHEMBL29655840 1.00 PTGS1 (0.44) PTGS1GSTK1NPY4RNPY1RNPY5R
SCHEMBL29533359 1.00 PTGS1 (0.44) PTGS1GSTK1NPY4RNPY1RNPY5R
SCHEMBL29655791 1.00 PTGS1 (0.44) PTGS1GSTK1NPY4RNPY1RNPY5R
SCHEMBL29590332 0.98 PTGS1 (0.43) PTGS1GSTK1NPY4RNPY1RNPY5R
SCHEMBL19791172 0.95 PTGS1 (0.41) PTGS1GSTK1NPY4RNPY1RNPY5R
SCHEMBL30254242 0.94 GNAI3 (0.43) PTGS1GSTK1NPY4RNPY1RNPY5R
SCHEMBL7306618 0.93 PTGS1 (0.43) PTGS1GSTK1NPY4RNPY1RNPY5R
SCHEMBL29630413 0.93 PTGS1 (0.43) PTGS1GSTK1NPY4RNPY1RNPY5R
SCHEMBL31691755 0.92 NPY4R (0.44) PTGS1GSTK1NPY4RNPY1RNPY5R

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-110818775-B Protein and polypeptide protective agent and application thereof 北京双鹭药业股份有限公司 2022-05-10 CN claimed
CN-110818775-B Protein and polypeptide protective agent and application thereof 北京双鹭药业股份有限公司 2022-05-10 CN disclosed