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Sugi Predict / Compounds / SCHEMBL30392901

SCHEMBL30392901

SCHEMBL30392901

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.65
▸ GLP1R P43220 4/20 0.59
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ NPY5R Q15761 1/20 0.59
▸ CTSL P07711 2/20 0.56
▸ CTSS P25774 2/20 0.56
▸ CTSK P43235 2/20 0.56
▸ CTSH P09668 1/20 0.56
▸ KEAP1 Q14145 1/20 0.56
▸ GCGR P47871 1/20 0.56
▸ GIPR P48546 1/20 0.56
▸ APLNR P35414 1/20 0.56
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55
▸ CXCR4 P61073 2/20 0.55
▸ F2 P00734 1/20 0.55
▸ GNRHR P30968 1/20 0.55
▸ ABCC2 Q92887 1/20 0.55

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
SCHEMBL30392169 0.97 C5AR1 (0.66) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL29429574 0.91 GLP1R (0.69) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31006727 0.90 C5AR1 (0.68) C5AR1GLP1RCTSLCTSSCTSK
SCHEMBL30495687 0.90 NPY1R (0.68) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30432462 0.89 C5AR1 (0.68) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30903283 0.89 C5AR1 (0.68) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL29904607 0.89 C5AR1 (0.62) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL29903369 0.89 C5AR1 (0.67) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL29649771 0.88 C5AR1 (0.70) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL29965030 0.88 C5AR1 (0.74) C5AR1GLP1RNPY1RNPY2RNPY4R

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-111621288-B Self-assembled material capable of forming nano defense network in situ of tumor, and preparation method and application thereof 国家纳米科学中心 2023-05-12 — — CN disclosed
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