SCHEMBL31214775

SCHEMBL31214775

CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.46
▸ NPY4R P50391 7/20 0.46
▸ NPY5R Q15761 7/20 0.46
▸ NPY1R P25929 5/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ EPHA2 P29317 2/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TFPI P10646 4/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ KEAP1 Q14145 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
SCHEMBL29679071 0.91 NPY2R (0.49) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29679064 0.91 NPY2R (0.49) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29823436 0.86 EP300 (0.47) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30432790 0.86 NPY2R (0.49) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29508191 0.85 NPY2R (0.52) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL29659402 0.85 EPHA2 (0.48) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL29743133 0.85 EPHA2 (0.48) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL30868651 0.84 KEAP1 (0.44) CXCR4EPHA2KEAP1
SCHEMBL30957280 0.84 RAMP3 (0.46) KEAP1
SCHEMBL31031494 0.84 CXCR4 (0.49) NPY2RNPY4RNPY5RNPY1RCXCR4

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-118615422-A Application of polypeptide P2 in preparation of medicines for treating pulmonary fibrosis diseases 中国药科大学 2024-09-10 — — CN disclosed
CN-118615422-A Application of polypeptide P2 in preparation of medicines for treating pulmonary fibrosis diseases 中国药科大学 2024-09-10 — — CN disclosed
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