SCHEMBL29404875

SCHEMBL29404875

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

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.63
OPRD1 P41143 4/20 0.63
NMUR2 Q9GZQ4 7/20 0.60
NMUR1 Q9HB89 7/20 0.60
F2 P00734 1/20 0.55
SLC6A2 P23975 1/20 0.55
NPY1R P25929 1/20 0.55

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
SCHEMBL31406967 0.98 OPRM1 (0.64) OPRM1OPRD1NMUR2NMUR1
SCHEMBL29358225 0.86 OPRD1 (0.68) OPRM1OPRD1NMUR2NMUR1
SCHEMBL29681572 0.86 OPRM1 (0.59) OPRM1OPRD1NMUR2NMUR1F2
SCHEMBL30204256 0.85 SLC6A2 (0.60) OPRM1NMUR2NMUR1SLC6A2NPY1R
SCHEMBL31506595 0.85 SLC6A2 (0.63) OPRM1OPRD1SLC6A2
SCHEMBL30232048 0.85 OPRM1 (0.54) OPRM1OPRD1SLC6A2
SCHEMBL34461873 0.85 OPRM1 (0.57) OPRM1OPRD1SLC6A2
SCHEMBL31406962 0.84 OPRM1 (0.62) OPRM1OPRD1SLC6A2
SCHEMBL38660346 0.84 OPRD1 (0.62) OPRM1OPRD1NMUR2NMUR1F2
SCHEMBL29845518 0.84 REN (0.59) SLC6A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115259102-A Process and equipment for preparing concentrated sulfur dioxide flue gas and silicate clinker by flue gas splitting 成都铭炬环保工程技术有限公司 2022-11-01 CN disclosed
CN-216457975-U Dry and semi-dry desulfurized fly ash centrosymmetric jet oxidation tower 沈阳环境科学研究院 2022-05-10 CN disclosed
CN-216457975-U Dry and semi-dry desulfurized fly ash centrosymmetric jet oxidation tower 沈阳环境科学研究院 2022-05-10 CN disclosed
CN-216457974-U Dry and semi-dry desulfurization ash double-tank body aeration oxidation tower 沈阳环境科学研究院 2022-05-10 CN disclosed
CN-216457974-U Dry and semi-dry desulfurization ash double-tank body aeration oxidation tower 沈阳环境科学研究院 2022-05-10 CN disclosed
CN-216457976-U Dry and semi-dry desulfurized ash multiphase jet oxidation tower 沈阳环境科学研究院 2022-05-10 CN disclosed
CN-216457976-U Dry and semi-dry desulfurized ash multiphase jet oxidation tower 沈阳环境科学研究院 2022-05-10 CN disclosed
CN-216440316-U Double-tower type dry and semi-dry desulfurized fly ash aeration oxidation device 沈阳环境科学研究院 2022-05-06 CN disclosed
CN-216440316-U Double-tower type dry and semi-dry desulfurized fly ash aeration oxidation device 沈阳环境科学研究院 2022-05-06 CN disclosed
CN-113599761-B Petrochemical alkaline residue treatment system and treatment method 钢铁研究总院 2022-02-25 CN disclosed