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SCHEMBL30648476

SCHEMBL30648476

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 2/20 0.64
▸ NPY1R P25929 1/20 0.64
▸ NPY4R P50391 1/20 0.64
▸ NPY5R Q15761 1/20 0.64
▸ TACR1 P25103 1/20 0.62
▸ MAPK8 P45983 1/20 0.60
▸ MAPK9 P45984 1/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ NMBR P28336 1/20 0.59
▸ GRPR P30550 1/20 0.59
▸ KISS1R Q969F8 3/20 0.59
▸ GLP1R P43220 8/20 0.58
▸ CALCR P30988 3/20 0.58

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
SCHEMBL30906422 0.91 NPY1R (0.68) NPY2RNPY1RNPY4RNPY5RGLP1R
SCHEMBL29811065 0.90 NPY2R (0.71) NPY2RNPY1RNPY4RNPY5RGLP1R
SCHEMBL31000908 0.90 NPY2R (0.72) NPY2RNPY1RNPY4RNPY5RMAPK8
SCHEMBL31182593 0.90 F2 (0.66) NPY2RNPY1RNPY4RNPY5RNMBR
SCHEMBL30906385 0.90 NPY2R (0.71) NPY2RNPY1RNPY4RNPY5RGLP1R
SCHEMBL31000884 0.89 NPY2R (0.75) NPY2RNPY1RNPY4RNPY5RGLP1R
SCHEMBL29679866 0.89 NPY1R (0.72) NPY2RNPY1RNPY4RNPY5RGLP1R
SCHEMBL29679514 0.88 NPY1R (0.68) NPY2RNPY1RNPY4RNPY5RGLP1R
SCHEMBL29949651 0.88 NPY1R (0.67) NPY2RNPY1RNPY4RNPY5RNMBR
SCHEMBL30906380 0.88 NPY1R (0.68) NPY2RNPY1RNPY4RNPY5RGLP1R

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
CN-116948034-B Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2024-06-25 — — CN disclosed
CN-116948034-A Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2023-10-27 — — CN disclosed
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