SCHEMBL3373785

SCHEMBL3373785

CCCCc1ccc(N(c2ccc(C=O)cc2)c2cccc(SCc3ccccc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
SLC6A4 P31645 2/20 0.35
OPRM1 P35372 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
BCHE P06276 2/20 0.35
LTB4R Q15722 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH3A1 P30838 1/20 0.34
ALDH1A3 P47895 1/20 0.34
CNR2 P34972 2/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL3408112 0.91 INSR (0.37) KCNH2SLC6A4OPRM1CHRM2HTR1A
SCHEMBL4864686 0.91 INSR (0.37) KCNH2SLC6A4OPRM1CHRM2HTR1A
SCHEMBL3375843 0.91 BCHE (0.40) KCNH2SLC6A4OPRM1CHRM2HTR1A
SCHEMBL3375646 0.85 ALDH1A1 (0.40) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL4940430 0.83 BCHE (0.37) KCNH2SLC6A4OPRM1CHRM2HTR1A
SCHEMBL13989148 0.79 ALDH1A1 (0.41) ALDH1A1ALDH3A1ALDH1A3CNR2MAOA
SCHEMBL24478976 0.78 KCNH2 (0.51) KCNH2SLC6A4CHRM2ADRA2ACHRM1
SCHEMBL2410952 0.78 KCNH2 (0.51) KCNH2SLC6A4CHRM2ADRA2ACHRM1
SCHEMBL3372867 0.78 MAOA (0.47) SLC6A4ELANEMAOAMAOB
SCHEMBL3373957 0.78 ALDH1A1 (0.53) ALDH1A1ALDH3A1ALDH1A3

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-2236488-A1 Materials, methods and uses for photochemical generation of acids and/or radical species The Arizona Board of Regents on behalf of the University of Arizona (US) 2010-10-06 EP disclosed
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
US-20050173683-A1 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZ BD OF REGENTS ON BEHALF OF THE UNIV OF AZ (US) 2005-08-11 US disclosed