SCHEMBL30968999

SCHEMBL30968999

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.49
▸ NPY2R P49146 7/20 0.48
▸ NPY4R P50391 7/20 0.48
▸ NPY5R Q15761 7/20 0.48
▸ NPY1R P25929 5/20 0.48
▸ RAMP3 O60896 5/20 0.47
▸ CALCR P30988 5/20 0.47
▸ NTSR2 O95665 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL30969027 0.94 KEAP1 (0.50) KEAP1RAMP3CALCRNTSR2NTSR1
SCHEMBL31074339 0.89 NTSR1 (0.53) KEAP1NTSR2NTSR1OPRD1
SCHEMBL30733270 0.88 RAMP3 (0.52) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31586540 0.88 NPY2R (0.49) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30242283 0.88 OPRM1 (0.49) KEAP1NTSR2NTSR1OPRM1OPRD1
SCHEMBL31575687 0.87 NTSR1 (0.48) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29777837 0.86 RAMP3 (0.54) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30401067 0.85 NPY2R (0.53) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30402066 0.85 NPY2R (0.52) KEAP1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30997423 0.85 NPY2R (0.54) NPY2RNPY4RNPY5RNPY1RRAMP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063544-A Antibacterial peptide or composition and application thereof 中国科学院大连化学物理研究所 2024-05-24 — — CN disclosed
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