SCHEMBL30534078

SCHEMBL30534078

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.47
▸ IL23R Q5VWK5 1/20 0.47
▸ C5AR1 P21730 1/20 0.47
▸ KEAP1 Q14145 1/20 0.45
▸ NPY2R P49146 3/20 0.44
▸ GHSR Q92847 2/20 0.44
▸ VIPR1 P32241 1/20 0.44
▸ VIPR2 P41587 1/20 0.44
▸ NPY4R P50391 3/20 0.44
▸ NPY1R P25929 2/20 0.44
▸ NPY5R Q15761 2/20 0.44
▸ FNTA P49354 3/20 0.43
▸ FNTB P49356 3/20 0.43
▸ PGGT1B P53609 3/20 0.43
▸ GLP1R P43220 1/20 0.43
▸ GCGR P47871 1/20 0.43
▸ GIPR P48546 1/20 0.43

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
SCHEMBL31194261 0.90 APLNR (0.46) APLNRC5AR1KEAP1NPY2RNPY4R
SCHEMBL30534079 0.89 APLNR (0.59) APLNRC5AR1GLP1RGCGR
SCHEMBL29904562 0.88 C5AR1 (0.55) APLNRC5AR1NPY2RNPY4RNPY1R
SCHEMBL7454936 0.88 GLP1R (0.55) KEAP1VIPR1VIPR2GLP1RGCGR
SCHEMBL7454951 0.88 GLP1R (0.55) KEAP1VIPR1VIPR2GLP1RGCGR
SCHEMBL29754616 0.87 NPY4R (0.45) APLNRC5AR1NPY2RNPY4RNPY1R
SCHEMBL31150767 0.87 OPRL1 (0.50) NPY2RNPY4RNPY1RNPY5RGLP1R
SCHEMBL31182488 0.86 GLP1R (0.48) APLNRKEAP1VIPR1VIPR2GLP1R
SCHEMBL31020745 0.86 GLP1R (0.51) APLNRIL23RC5AR1KEAP1GLP1R
SCHEMBL29904555 0.86 NPY4R (0.53) IL23RC5AR1NPY2RNPY4RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372414-B Fluorescent probe for detecting ochratoxin A and preparation method thereof 长春理工大学 2023-07-21 — — CN claimed
CN-113372414-B Fluorescent probe for detecting ochratoxin A and preparation method thereof 长春理工大学 2023-07-21 — — CN disclosed
CN-113372414-B Fluorescent probe for detecting ochratoxin A and preparation method thereof 长春理工大学 2023-07-21 — — CN disclosed
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