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SCHEMBL30432848

SCHEMBL30432848

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

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.64
▸ NPY4R P50391 8/20 0.64
▸ NPY5R Q15761 8/20 0.64
▸ NPY1R P25929 6/20 0.64
▸ CALCR P30988 3/20 0.62
▸ TFPI P10646 3/20 0.60
▸ EP300 Q09472 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ GLP1R P43220 2/20 0.57

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
Motilin SCHEMBL29580303 0.91 CALCR (0.64) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182963 0.90 TFPI (0.68) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29360287 0.89 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432190 0.89 CALCR (0.68) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182542 0.89 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30975049 0.88 CALCR (0.65) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495841 0.88 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31146614 0.88 NPY2R (0.73) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30804686 0.88 TFPI (0.58) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31230205 0.88 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCALCR

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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