SCHEMBL29770306

SCHEMBL29770306

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.56
▸ NPY4R P50391 5/20 0.55
▸ NTSR2 O95665 3/20 0.55
▸ NTSR1 P30989 3/20 0.55
▸ SORT1 Q99523 3/20 0.55
▸ NPY1R P25929 3/20 0.55
▸ NPY2R P49146 2/20 0.54
▸ NPY5R Q15761 2/20 0.54
▸ REN P00797 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ OPRM1 P35372 6/20 0.53
▸ OPRK1 P41145 6/20 0.53

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
SCHEMBL29770298 0.89 NPY4R (0.57) EPHA2NPY4RNTSR2NTSR1SORT1
SCHEMBL29770296 0.86 SLC6A2 (0.61) NTSR2NTSR1SORT1RENSLC6A2
SCHEMBL10592955 0.86 NTSR2 (0.64) NPY4RNTSR2NTSR1SORT1NPY1R
SCHEMBL31634123 0.86 NTSR2 (0.60) EPHA2NPY4RNTSR2NTSR1SORT1
SCHEMBL30498507 0.84 EPHA2 (0.60) EPHA2RENSLC6A2OPRM1OPRK1
SCHEMBL30360392 0.84 NTSR2 (0.73) NTSR2NTSR1SORT1
SCHEMBL8876493 0.84 NPY4R (0.60) NPY4RNTSR2NTSR1SORT1NPY1R
SCHEMBL29770348 0.83 CMA1 (0.59) RENSLC6A2
SCHEMBL29379857 0.83 SLC6A2 (0.60) EPHA2NTSR2NTSR1SORT1REN
SCHEMBL30389216 0.83 EPHA2 (0.60) EPHA2NPY4RNTSR2NTSR1SORT1

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-110105428-B Leu-Arg-Ala-Pro-Leu-Tyr-Val heptapeptide, synthesis, activity and application thereof 首都医科大学 2022-08-05 — — CN claimed
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