SCHEMBL6887685

SCHEMBL6887685

[C-]#[N+]CCCN(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC2A1 P11166 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
PAOX Q6QHF9 1/20 0.31

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
SCHEMBL6881597 0.83
SCHEMBL12426344 0.82
SCHEMBL6884514 0.82 CA12 (0.33)
SCHEMBL234338 0.73 SIGMAR1 (0.48) HRH4HRH3SIGMAR1SLC2A1NPSR1
SCHEMBL15052279 0.73 SIGMAR1 (0.48) HRH4HRH3SIGMAR1SLC2A1NPSR1
SCHEMBL235041 0.73 SIGMAR1 (0.42) HRH4HRH3SIGMAR1SLC2A1NPSR1
SCHEMBL6881592 0.72
SCHEMBL7007846 0.72 TSHR (0.39) HRH4HRH3PAOX
SCHEMBL2564528 0.70 SIGMAR1 (0.46) HRH4HRH3SIGMAR1SLC2A1CHRM2
SCHEMBL2137948 0.70 SIGMAR1 (0.46) HRH4HRH3SIGMAR1SLC2A1CHRM2

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
US-6713146-B2 SINGLY RECORDABLE COMPACT DISC (CD-R) BAYER AKTIENGESELLSCHAFT (DE) 2004-03-30 US claimed
EP-1322906-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER Bayer Aktiengesellschaft (DE) 2003-07-02 EP claimed
US-20020127366-A1 Optical data stores containing a Co-phthalocyanine complex in the information layer recordable using light LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US claimed
WO-2002025205-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO claimed
CN-117447352-A Lipid compound and application thereof 尧唐(上海)生物科技有限公司 2024-01-26 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-6713146-B2 SINGLY RECORDABLE COMPACT DISC (CD-R) BAYER AKTIENGESELLSCHAFT (DE) 2004-03-30 US disclosed
EP-1322906-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER Bayer Aktiengesellschaft (DE) 2003-07-02 EP disclosed
US-20020127366-A1 Optical data stores containing a Co-phthalocyanine complex in the information layer recordable using light LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US disclosed
WO-2002025205-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO disclosed