SCHEMBL31031100

SCHEMBL31031100

CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)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 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.44
▸ NPY1R P25929 8/20 0.44
▸ NPY2R P49146 6/20 0.44
▸ NPY5R Q15761 6/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ IL23R Q5VWK5 3/20 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
SCHEMBL31031102 0.92 RXFP1 (0.47) NPY4RNPY1RNPY2RNPY5RRXFP1
SCHEMBL31031101 0.92 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RSIRT6
SCHEMBL31031104 0.91 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RSIRT6
SCHEMBL31031099 0.90 RXFP1 (0.51) NPY4RNPY1RNPY2RNPY5RRXFP1
SCHEMBL31440867 0.88 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31031105 0.85 RXFP1 (0.45) NPY4RNPY1RNPY2RNPY5RRXFP1
SCHEMBL29355280 0.82 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5R
SCHEMBL24049263 0.81 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31031107 0.81 RXFP1 (0.46) NPY4RNPY1RNPY2RNPY5RRXFP1
SCHEMBL31433331 0.80 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5R

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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