SCHEMBL6546189

SCHEMBL6546189

CCCc1ccccc1CCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HTR2A P28223 1/20 0.48
SIGMAR1 Q99720 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL28449931 0.96 SIGMAR1 (0.52) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL12506234 0.91 KCNH2 (0.50) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL28963713 0.89 HTR2A (0.58) ADRA1ASLC6A3HTR2ASIGMAR1L3MBTL1
SCHEMBL29588181 0.89 HTR2A (0.58) ADRA1ASLC6A3HTR2ASIGMAR1L3MBTL1
SCHEMBL6546677 0.87 ADRA1A (0.48) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL6546789 0.86 HTR1A (0.48) KCNH2HTR1AHTR2ASIGMAR1MAOA
SCHEMBL7184664 0.85 KCNH2 (0.62) KCNH2CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL27378152 0.85 KCNH2 (0.62) KCNH2CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL15662944 0.85 KCNH2 (0.62) KCNH2CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL19201121 0.84 SIGMAR1 (0.46) KCNH2CHRM2HTR1AADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658635-A2 REMOVAL OF BROMINE FROM GASEOUS HYDROGEN BROMIDE Albemarle Corporation (US) 2013-11-06 EP disclosed
US-20130287675-A1 Removal of Bromine From Gaseous Hydrogen Bromide ALBEMARLE CORPORATION (US) 2013-10-31 US disclosed
WO-2012092338-A2 REMOVAL OF BROMINE FROM GASEOUS HYDROGEN BROMIDE ALBEMARLE CORPORATION (US) 2012-07-05 WO disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed