SCHEMBL29624137

SCHEMBL29624137

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.65
▸ NPY1R P25929 1/20 0.61
▸ NPY2R P49146 1/20 0.61
▸ NPY4R P50391 1/20 0.61
▸ NPY5R Q15761 1/20 0.61
▸ KEAP1 Q14145 2/20 0.59
▸ C5AR1 P21730 1/20 0.58
▸ GLP1R P43220 6/20 0.56
▸ CTSL P07711 1/20 0.56
▸ CTSH P09668 1/20 0.56
▸ CTSS P25774 1/20 0.56
▸ CTSK P43235 1/20 0.56
▸ PTH1R Q03431 3/20 0.55
▸ ECE1 P42892 1/20 0.55
▸ MUS81 Q96NY9 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
SCHEMBL28271119 0.98 CXCR4 (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658277 0.90 NPY2R (0.75) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658313 0.88 NPY2R (0.67) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495836 0.88 GLP1R (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29352195 0.88 NPY2R (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30436894 0.88 CXCR4 (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182815 0.88 NPY2R (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL9073974 0.88 CXCR4 (0.72) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495767 0.88 NPY1R (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30880905 0.88 CXCR4 (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-221303874-U High-voltage large-scale dry-type transformer PLC control system 株洲市希玛特变电工有限公司 2024-07-09 — — CN claimed
CN-117666461-A High-voltage large-scale dry-type transformer PLC control system 株洲市希玛特变电工有限公司 2024-03-08 — — CN claimed
CN-216451380-U Transmitter power-up test equipment 国营洛阳丹城无线电厂 2022-05-06 — — CN claimed
US-12233116-B2 IL-15-based fusions to IL-12 and IL-18 Altor BioScience, LLC. (US) 2025-02-25 — — US disclosed
US-20250049764-A1 Compositions and Methods of Treating Cardiac Fibrosis with Ifetroban CUMBERLAND PHARMACEUTICALS INC. 2025-02-13 — — US disclosed
US-12161632-B2 Compositions and methods of treating cardiac fibrosis with ifetroban CUMBERLAND PHARMACEUTICALS INC. (US) 2024-12-10 — — US disclosed
US-20240252609-A1 IL-15-BASED FUSIONS TO IL-12 AND IL-18 Altor BioScience, LLC. 2024-08-01 — — US disclosed
CN-221303874-U High-voltage large-scale dry-type transformer PLC control system 株洲市希玛特变电工有限公司 2024-07-09 — — CN disclosed
CN-117666461-A High-voltage large-scale dry-type transformer PLC control system 株洲市希玛特变电工有限公司 2024-03-08 — — CN disclosed
CN-117325525-A Sound insulation board and method for preparing sound insulation board 河南海德薇节能科技有限公司 2024-01-02 — — CN disclosed
WO-2023232304-A1 METHOD AND KIT FOR SIMULTANEOUSLY VERIFYING A PLURALITY OF DIFFERENT PATHOGENS IN A SAMPLE Xebios Diagnostics Group GmbH (DE) 2023-12-07 — — WO disclosed
EP-4286530-A1 METHOD AND KIT FOR SIMULTANEOUSLY DETECTING A PLURALITY OF DIFFERENT PATHOGENS IN A SAMPLE Xebios Diagnostics Group GmbH (DE) 2023-12-06 — — EP disclosed
US-20230270726-A1 Compositions and Methods of Treating Cardiac Fibrosis with Ifetroban VANDERBILT UNIVERSITY 2023-08-31 — — US disclosed
CN-219470088-U Control device of blast furnace tuyere dismounting machine 鞍钢重型机械有限责任公司 2023-08-04 — — CN disclosed
CN-115427034-A Non-steroidal anti-inflammatory drug compositions and methods of use thereof 应用生物实验室公司 2022-12-02 — — CN disclosed
US-20220293439-A1 SUBSTRATE PROCESSING APPARATUS TOKYO ELECTRON LIMITED (JP) 2022-09-15 — — US disclosed
CN-216451380-U Transmitter power-up test equipment 国营洛阳丹城无线电厂 2022-05-06 — — CN disclosed
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