SCHEMBL29635962

SCHEMBL29635962

CC(C)CC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CO)NC(=O)C(C)N)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.52
RAMP3 O60896 7/20 0.51
CALCR P30988 7/20 0.51
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
CCNA1 P78396 2/20 0.49
NPBWR1 P48145 2/20 0.49
APLNR P35414 2/20 0.48
SLC15A2 Q16348 1/20 0.47
GRPR P30550 4/20 0.47
EGFR P00533 1/20 0.46

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
SCHEMBL29419646 0.85 CCNA2 (0.58) CCNA2CDK2CCNA1NPBWR1APLNR
SCHEMBL29596006 0.80 NR3C1 (0.56) RAMP3CALCRNPBWR1
SCHEMBL29351251 0.80 SLC15A2 (0.52) CCNA2CDK2CCNA1NPBWR1SLC15A2
SCHEMBL23083920 0.79 CCNA2 (0.58) CCNA2CDK2CCNA1SLC15A2
SCHEMBL29351692 0.78 SLC15A2 (0.76) CCNA2CDK2CCNA1SLC15A2
SCHEMBL31332077 0.76 NR3C1 (0.60)
SCHEMBL30903543 0.76 CYP3A4 (0.47) CCNA2CDK2CCNA1SLC15A2
SCHEMBL29368268 0.76 SLC15A2 (0.53) SLC15A2
SCHEMBL11054592 0.75 RAMP3 (0.50) RAMP3CALCRAPLNR
SCHEMBL27624700 0.75 SLC15A2 (0.51) SLC15A2GRPR

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-114901698-B Compositions and uses of engineered monoclonal antibodies against tumor immunosuppressive factors 纳夫罗根公司 2024-08-06 CN disclosed
CN-110612113-B Gene therapy for haploid insufficiency 加利福尼亚大学董事会 2024-03-26 CN disclosed
CN-110036119-B Ovarian cancer biomarker and application thereof 丰宥科技股份有限公司 2024-01-23 CN disclosed
CN-117295819-A Compositions and methods for inhibiting expression of complement component 3 阿斯利康(爱尔兰)有限公司 2023-12-26 CN disclosed
CN-113884684-B Construction method of active tuberculosis multiunit chemical integration marker, kit and detection model 上海依赛洛森生物医药有限公司 2023-09-15 CN disclosed
CN-116235054-A Method for determining a subject's predisposition from a light-medium COVID-19 disease course to a severe or critical disease course 赛欧米克斯股份有限公司 2023-06-06 CN disclosed
CN-115997127-A Detection of complement proteins 曼寿医药有限公司 2023-04-21 CN disclosed
CN-115066615-A Determination support information generation method, determination support information generation system, and information processing device 株式会社MCBI 2022-09-16 CN disclosed
CN-114901698-A Composition and use of engineered monoclonal antibodies against tumor immunosuppressive factors 纳夫罗根公司 2022-08-12 CN disclosed
CN-114487428-A Application of urine complement C3 protein and polypeptide fragment thereof in gestational diabetes and neonatal evaluation 首都医科大学附属北京世纪坛医院 2022-05-13 CN disclosed