SCHEMBL29793680

SCHEMBL29793680

CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](N)CC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.64
▸ CALCR P30988 4/20 0.56
▸ AGTR1 P30556 1/20 0.53
▸ AGTR2 P50052 1/20 0.53
▸ NTSR2 O95665 5/20 0.52
▸ NTSR1 P30989 5/20 0.52
▸ ANPEP P15144 1/20 0.52
▸ LNPEP Q9UIQ6 1/20 0.52
▸ CRHR1 P34998 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ APLNR P35414 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ SORT1 Q99523 3/20 0.50
▸ NMUR2 Q9GZQ4 1/20 0.50
▸ NMUR1 Q9HB89 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50

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
SCHEMBL29510574 0.98 F2 (0.62) F2CALCRAGTR1AGTR2NTSR2
SCHEMBL29510563 0.87 NTSR2 (0.58) AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL29467322 0.87 OPRD1 (0.56) NTSR2NTSR1OPRM1OPRD1OPRK1
SCHEMBL30586509 0.85 F2 (0.60) F2CALCRNTSR2NTSR1CRHR1
SCHEMBL30504289 0.85 CALCR (0.61) F2CALCRAGTR1AGTR2NTSR2
SCHEMBL10066200 0.84 AGTR1 (0.62) AGTR1AGTR2NTSR2NTSR1ANPEP
SCHEMBL31544391 0.84 AGTR1 (0.62) F2CALCRAGTR1AGTR2NTSR2
SCHEMBL31174221 0.84 F2 (0.69) F2CALCRAGTR1AGTR2ANPEP
SCHEMBL30504143 0.83 F2 (0.69) F2CALCRNTSR2NTSR1ANPEP
SCHEMBL30504147 0.83 F2 (0.67) F2CALCRNTSR2NTSR1CRHR1

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-107530396-B Adiponectin peptidomimetics for the treatment of ophthalmic diseases 雅利斯塔制药公司 2022-08-26 — — CN disclosed
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