SCHEMBL9512907

SCHEMBL9512907

CC(C(=O)c1cccc(C(=O)C(C)N(C)C)c1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
KCNH2 Q12809 2/20 0.47
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 6/20 0.40
CHRNB2 P17787 5/20 0.40
CHRNB4 P30926 5/20 0.40
CHRNA3 P32297 5/20 0.40
CHRNA4 P43681 5/20 0.40
SLC6A3 Q01959 5/20 0.40
CHRNA1 P02708 4/20 0.40
CHRNG P07510 4/20 0.40
CHRNB1 P11230 4/20 0.40

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
SCHEMBL32662585 0.89 SLC6A2 (0.53) HRH1KCNH2PGRADRA2AADRA2B
SCHEMBL769582 0.87 SLC6A2 (0.56) HRH1KCNH2GAASLC6A2CHRNB2
SCHEMBL4435825 0.87 CES2 (0.54) HRH1KCNH2PGRADRA2AADRA2B
Hydrochloric Acid SCHEMBL5858783 0.86 SLC6A2 (0.57) HRH1KCNH2GAASLC6A2CHRNB2
Metamfepramone SCHEMBL10505245 0.85 PGR (0.63) HRH1KCNH2PGRADRA2AADRA2B
Metamfepramone SCHEMBL309430 0.85 PGR (0.63) HRH1KCNH2PGRADRA2AADRA2B
Metamfepramone SCHEMBL5172661 0.83 PGR (0.61) HRH1KCNH2PGRADRA2AADRA2B
Metamfepramone SCHEMBL22614741 0.83 PGR (0.61) HRH1KCNH2PGRADRA2AADRA2B
SCHEMBL7945435 0.78 GAA (0.59) HRH1KCNH2KMT2AGAAHSD17B10
SCHEMBL4435864 0.77 CHRNA1 (0.55) KMT2AGAAMEN1SLC6A2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260877-B1 Photosensitizers and polymerizable compositions MINNESOTA MINING & MFG (US) 1993-11-03 EP disclosed
US-4792506-A FREE RADICAL POLYMERIZATION OF VINYL MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-12-20 US disclosed
EP-0260877-A2 Photosensitizers and polymerizable compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-03-23 EP disclosed