SCHEMBL31031102

SCHEMBL31031102

CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.47
▸ NPY4R P50391 14/20 0.44
▸ NPY1R P25929 9/20 0.44
▸ NPY5R Q15761 7/20 0.44
▸ NPY2R P49146 6/20 0.44
▸ TFPI P10646 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL31031100 0.92 NPY4R (0.44) RXFP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL31031099 0.90 RXFP1 (0.51) RXFP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL31440867 0.88 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2REGFR
SCHEMBL30148948 0.87 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2REGFR
SCHEMBL31628012 0.85 NPY4R (0.54) RXFP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL31031101 0.84 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RSIRT6
SCHEMBL31031104 0.83 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RSIRT6
SCHEMBL31433331 0.82 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL10168777 0.82 RXFP1 (0.53) RXFP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL10168328 0.82 RXFP1 (0.53) RXFP1NPY4RNPY1RNPY5RNPY2R

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-118146308-A Cyclic peptides for treating gastric cancer and pharmaceutical composition thereof 中国科学院分子细胞科学卓越创新中心 2024-06-07 — — CN claimed
CN-118146308-A Cyclic peptides for treating gastric cancer and pharmaceutical composition thereof 中国科学院分子细胞科学卓越创新中心 2024-06-07 — — CN disclosed
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