SCHEMBL30399541

SCHEMBL30399541

CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.48
▸ SLC6A2 P23975 1/20 0.44
▸ NTSR2 O95665 7/20 0.44
▸ NTSR1 P30989 7/20 0.44
▸ SORT1 Q99523 7/20 0.44
▸ APLNR P35414 1/20 0.43
▸ DPP3 Q9NY33 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42

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
SCHEMBL31721056 0.88 XIAP (0.47) RENDPP3OPRM1
SCHEMBL30997440 0.88 REN (0.45) RENSLC6A2DPP3OPRM1
SCHEMBL30997442 0.88 REN (0.45) RENSLC6A2DPP3OPRM1
SCHEMBL11092435 0.87 REN (0.47) RENSLC6A2NTSR2NTSR1SORT1
SCHEMBL30676223 0.87 REN (0.47) RENNTSR2NTSR1SORT1
SCHEMBL31072130 0.87 REN (0.46) RENNTSR2NTSR1SORT1OPRM1
SCHEMBL30385689 0.85 REN (0.47) RENSLC6A2NTSR2NTSR1SORT1
SCHEMBL30819477 0.85 REN (0.44) RENSLC6A2APLNRDPP3
SCHEMBL31108638 0.84 REN (0.64) RENSLC6A2NTSR2NTSR1SORT1
SCHEMBL31583750 0.84 REN (0.46) RENOPRM1OPRD1OPRK1

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-116063385-A Enzyme-digested product of red date protein, and preparation method and application thereof 宁波大学 2023-05-05 — — CN disclosed
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