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Sugi Predict / Compounds / SCHEMBL30844083

SCHEMBL30844083

SCHEMBL30844083

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.61
▸ OPRD1 P41143 4/20 0.61
▸ OPRK1 P41145 3/20 0.61
▸ TFPI P10646 1/20 0.60
▸ KISS1R Q969F8 3/20 0.58
▸ VIPR1 P32241 1/20 0.54

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
SCHEMBL29365490 0.96 TFPI (0.62) OPRM1OPRD1OPRK1TFPIKISS1R
SCHEMBL30668120 0.93 OPRM1 (0.60) OPRM1OPRD1OPRK1TFPIKISS1R
SCHEMBL31683259 0.91 TFPI (0.64) OPRM1OPRD1OPRK1TFPIKISS1R
SCHEMBL29637838 0.90 GLP1R (0.58) OPRM1OPRD1OPRK1TFPIKISS1R
SCHEMBL30906588 0.90 TFPI (0.61) OPRM1OPRD1OPRK1TFPIVIPR1
SCHEMBL31000935 0.89 TFPI (0.65) OPRM1OPRD1OPRK1TFPIVIPR1
SCHEMBL30320494 0.89 VIPR1 (0.59) OPRM1OPRD1OPRK1TFPIVIPR1
SCHEMBL30512711 0.88 TFPI (0.60) OPRM1OPRD1OPRK1TFPIKISS1R
SCHEMBL29641786 0.88 OPRM1 (0.56) OPRM1OPRD1OPRK1TFPIKISS1R
SCHEMBL30567448 0.88 TFPI (0.59) TFPIKISS1RVIPR1

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-117820469-A anti-Slc 17a2 monoclonal antibody and application thereof 中国人民解放军空军军医大学 2024-04-05 — — CN claimed
CN-117820469-A anti-Slc 17a2 monoclonal antibody and application thereof 中国人民解放军空军军医大学 2024-04-05 — — CN disclosed
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