Sugi Predict

Sugi Predict / Compounds / SCHEMBL30633111

SCHEMBL30633111

SCHEMBL30633111

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 3/20 0.56
▸ NTSR2 O95665 2/20 0.56
▸ OPRD1 P41143 2/20 0.56
▸ OPRM1 P35372 1/20 0.56
▸ CALCR P30988 4/20 0.54
▸ SORT1 Q99523 1/20 0.53
▸ NMUR2 Q9GZQ4 1/20 0.53
▸ NMUR1 Q9HB89 1/20 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
SCHEMBL31461984 0.86 CALCR (0.53) OPRD1CALCR
SCHEMBL31462091 0.85 F2 (0.54) NTSR1NTSR2OPRD1OPRM1CALCR
SCHEMBL30898602 0.84 NTSR1 (0.60) NTSR1NTSR2SORT1
SCHEMBL31462075 0.84 CALCR (0.54) OPRD1OPRM1CALCR
SCHEMBL30304242 0.83 OPRD1 (0.60) NTSR1OPRD1OPRM1CALCR
SCHEMBL29509550 0.83 OPRD1 (0.59) NTSR1OPRD1OPRM1CALCR
SCHEMBL29826838 0.83 OPRD1 (0.59) NTSR1OPRD1OPRM1CALCR
SCHEMBL31462040 0.83 CALCR (0.54) OPRD1CALCR
SCHEMBL31303185 0.82 OPRM1 (0.78) OPRD1OPRM1
SCHEMBL30198370 0.82 OPRD1 (0.56) NTSR1NTSR2OPRD1OPRM1NMUR2

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-116836227-B Application of synthetic polypeptide in maintaining stem cell dryness 艾一生命科技(广东)有限公司 2023-12-08 — — CN disclosed
CN-116836227-A Application of synthetic polypeptide in maintaining stem cell dryness 艾一生命科技(广东)有限公司 2023-10-03 — — CN disclosed
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