SCHEMBL31031099

SCHEMBL31031099

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.51
▸ NPY4R P50391 6/20 0.42
▸ NPY1R P25929 5/20 0.42
▸ NPY2R P49146 4/20 0.42
▸ NPY5R Q15761 4/20 0.42
▸ F2 P00734 2/20 0.41
▸ TFPI P10646 1/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ FURIN P09958 1/20 0.40
▸ VIPR1 P32241 1/20 0.40
▸ VIPR2 P41587 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 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
SCHEMBL31031107 0.92 RXFP1 (0.46) RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31031102 0.90 RXFP1 (0.47) RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31031105 0.90 RXFP1 (0.45) RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31031100 0.90 NPY4R (0.44) RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30093119 0.87 RXFP1 (0.51) RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30894446 0.87 RXFP1 (0.49) RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30272471 0.87 GRIN2D (0.45) RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30888371 0.87 RXFP1 (0.49) RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29592524 0.87 VIPR2 (0.46) RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29416069 0.87 GRIN2D (0.45) RXFP1NPY4RNPY1RNPY2RNPY5R

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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