SCHEMBL3375843

SCHEMBL3375843

CCCCc1ccc(N(c2ccc(CCCC)cc2)c2cccc(SCc3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
SLC6A4 P31645 2/20 0.40
OPRM1 P35372 3/20 0.39
DRD3 P35462 3/20 0.39
KCNH2 Q12809 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
DRD2 P14416 2/20 0.36

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 0.93 INSR (0.37) BCHESLC6A4OPRM1DRD3KCNH2
SCHEMBL4864686 0.93 INSR (0.37) BCHESLC6A4OPRM1DRD3KCNH2
SCHEMBL3373785 0.91 KCNH2 (0.35) BCHESLC6A4OPRM1DRD3KCNH2
SCHEMBL3372867 0.86 MAOA (0.47) SLC6A4MAOAMAOB
SCHEMBL4940430 0.84 BCHE (0.37) BCHESLC6A4OPRM1DRD3KCNH2
SCHEMBL10042890 0.83 BCHE (0.47) BCHESLC6A4OPRM1DRD3KCNH2
SCHEMBL4870140 0.82 CA2 (0.40) BCHE
SCHEMBL10042891 0.80 KCNH2 (0.52) BCHESLC6A4OPRM1DRD3KCNH2
SCHEMBL1170313 0.80 KCNH2 (0.52) BCHESLC6A4OPRM1DRD3KCNH2
SCHEMBL12313748 0.80 KCNH2 (0.52) BCHESLC6A4OPRM1DRD3KCNH2

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 6 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
EP-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 EP 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
EP-1390664-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES The Arizona Board of Regents (US) 2004-02-25 EP disclosed
WO-2002079691-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) 2002-10-10 WO disclosed