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SCHEMBL30433441

SCHEMBL30433441

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.65
▸ HCRTR1 O43613 1/20 0.58
▸ HCRTR2 O43614 1/20 0.58
▸ GLP1R P43220 3/20 0.57
▸ CCKBR P32239 2/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ GCGR P47871 1/20 0.57
▸ GIPR P48546 1/20 0.57
▸ CRHR1 P34998 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ NPY2R P49146 4/20 0.56
▸ NPY4R P50391 4/20 0.56
▸ NPY5R Q15761 4/20 0.56
▸ NPY1R P25929 3/20 0.56

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
SCHEMBL30567772 0.92 CALCR (0.74) CALCRHCRTR1HCRTR2GLP1RCCKBR
SCHEMBL30335483 0.91 NPY2R (0.64) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432502 0.91 NPY2R (0.67) CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL31000913 0.91 CALCR (0.66) CALCRGLP1ROPRD1GIPRNPY2R
SCHEMBL31182878 0.91 CALCR (0.70) CALCRHCRTR1HCRTR2OPRD1CRHR1
SCHEMBL30277958 0.89 NPY2R (0.62) CALCRHCRTR1HCRTR2GLP1RGCGR
SCHEMBL29811064 0.89 CALCR (0.66) CALCROPRD1NPY2RNPY4RNPY5R
SCHEMBL31683307 0.89 NPY2R (0.62) CALCROPRD1NPY2RNPY4RNPY5R
SCHEMBL31000946 0.89 CALCR (0.64) CALCRHCRTR1HCRTR2GLP1RGCGR
SCHEMBL30658358 0.89 CALCR (0.77) CALCRHCRTR1HCRTR2GLP1RCCKBR

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
US-20240342111-A1 ISOMER-SPECIFIC NEUROPROTECTIVE EFFECT OF NATURAL RESERVATROL UNIV SOUTH CAROLINA (US) 2024-10-17 — — US disclosed
US-20230201133-A1 Isomer-Specific Neuroprotective Effect of Natural Resveratrol UNIVERSITY OF SOUTH CAROLINA (US) 2023-06-29 — — US disclosed
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