SCHEMBL305857

SCHEMBL305857

NCCCC[C@H](N)C(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
SLC7A5 Q01650 1/20 0.56
CPB2 Q96IY4 3/20 0.55
SLC15A2 Q16348 1/20 0.49
CPB1 P15086 1/20 0.47
HRH3 Q9Y5N1 4/20 0.47
HRH4 Q9H3N8 3/20 0.47
HRH1 P35367 6/20 0.46
HRH2 P25021 2/20 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
SCHEMBL902056 1.00 CYP3A4 (0.56) CYP3A4SLC7A5CPB2SLC15A2CPB1
SCHEMBL1537239 0.96 CPB2 (0.60) CYP3A4SLC7A5CPB2HRH3HRH4
SCHEMBL10705310 0.91 CYP3A4 (0.60) CYP3A4SLC7A5CPB2
SCHEMBL1537285 0.88 CYP3A4 (0.71) CYP3A4SLC7A5HRH3HRH4
SCHEMBL163444 0.88 CYP3A4 (0.71) CYP3A4SLC7A5HRH3HRH4
SCHEMBL28413657 0.87 CPB2 (0.50) CYP3A4SLC7A5CPB2SLC15A2CPB1
Hydrochloric Acid SCHEMBL28331180 0.86 CYP3A4 (0.69) CYP3A4SLC7A5HRH3HRH4
Histidine SCHEMBL27986330 0.84 CYP3A4 (0.76) CYP3A4SLC7A5CPB2SLC15A2CPB1
SCHEMBL5712340 0.83 CYP3A4 (0.57) CYP3A4SLC7A5CPB2HRH3HRH4
Histidine SCHEMBL28204033 0.83 CYP3A4 (0.74) CYP3A4SLC7A5CPB2SLC15A2CPB1

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 381 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109568594-A Polycation macromolecular prodrug is used for the preparation and application of gene delivery, nano composite system 南华大学 2019-04-05 CN claimed
US-20190025316-A1 PROTEIN INTERACTOR DETECTION SYSTEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-24 US claimed
US-9951183-B2 Amphiphilic blockcopolymers comprising reduction sensitive biodegradable polyesteramides DSM IP ASSETS, B.V. (NL) 2018-04-24 US claimed
US-20170218123-A1 AMPHIPHILIC BLOCKCOPOLYMERS COMPRISING REDUCTION SENSITIVE BIODEGRADABLE POLYESTERAMIDES DSM IP ASSETS, B.V. (NL) 2017-08-03 US claimed
WO-2017123800-A1 PROTEIN INTERACTOR DETECTION SYSTEMS THE REGENTS OF UNIVERSITY OF CALIFORNIA (US) 2017-07-20 WO claimed
CN-101812177-B Preparations of cationic polymer modified by steroid hormone and gene composite thereof UNIV CHINA PHARMA 2012-01-25 CN claimed
US-20030215877-A1 Directed protein docking algorithm CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-11-20 US claimed
WO-2003087310-A2 DIRECTED PROTEIN DOCKING ALGORITHM CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-10-23 WO claimed
CN-1193278-A Chemical compounds ZENECA LTD (GB) 1998-09-16 CN claimed
CN-114671912-B Method for homogeneously synthesizing blue copper tripeptide with assistance of light shearing carrier 西北工业大学 2024-05-14 CN disclosed
US-20240141353-A1 SIRNAS AGAINST KRAS AND RAF1 SIRNAOMICS, INC. 2024-05-02 US disclosed
WO-2024092120-A2 SIRNAS AGAINST KRAS AND RAF1 SIRNAOMICS, INC. (US) 2024-05-02 WO disclosed
WO-2024069176-A1 CLOSTRIDIAL NEUROTOXINS COMPRISING AN ACTIVATING EXOGENOUS PROTEASE CLEAVAGE SITE IPSEN BIOPHARM LIMITED (GB) 2024-04-04 WO disclosed
CN-117384945-A Application of NtLHT1 gene in improving biomass and/or nitrogen utilization efficiency of tobacco 湖南中烟工业有限责任公司 2024-01-12 CN disclosed
WO-1998047089-A1 APPARATUS AND METHOD FOR AUTOMATED PROTEIN DESIGN CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-10-22 WO disclosed
WO-1998024907-A1 NOVEL PROTEIN WITH CHEMOKINE ACTIVITY AMGEN INC. (US) 1998-06-11 WO disclosed
WO-1998016644-A1 FIBROBLAST GROWTH FACTOR HOMOLOGS ZYMOGENETICS, INC. (US) 1998-04-23 WO disclosed
WO-1998009991-A2 ENTERIC NEURAL PEPTIDE ZYMOGENETICS, INC. (US) 1998-03-12 WO disclosed
WO-1997043412-A1 NOVEL AGOUTI-RELATED GENE AMGEN INC. (US) 1997-11-20 WO disclosed
CN-1042821-A The production method of paddy plumule nutritious drink goods SHANGHAI INST OF CEREAL SCIENC (CN) 1990-06-13 CN disclosed