SCHEMBL27397494

SCHEMBL27397494

CCCc1ccccc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
EPHX2 P34913 1/20 0.41
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NAAA Q02083 1/20 0.38
DRD2 P14416 3/20 0.37
PTGS2 P35354 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
CTSK P43235 3/20 0.36
CTSS P25774 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
Hydrochloric Acid SCHEMBL7994679 0.98 HTR1D (0.43) HTR1DHTR1BEPHX2SLC6A4SLC6A2
SCHEMBL4825129 0.98 HTR1D (0.43) HTR1DHTR1BEPHX2SLC6A4SLC6A2
SCHEMBL27472563 0.87 CYSLTR2 (0.48) HTR1DHTR1BSLC6A4SLC6A2DRD2
SCHEMBL15568277 0.87 HTR1D (0.43) HTR1DHTR1BPTGDR2NAAAPTGS2
SCHEMBL9845530 0.87 HTR1D (0.43) HTR1DHTR1BPTGDR2NAAAPTGS2
SCHEMBL11071980 0.87 SLC6A4 (0.37) HTR1DHTR1BSLC6A4SLC6A2SLC6A3
SCHEMBL11071982 0.87 SLC6A4 (0.37) HTR1DHTR1BSLC6A4SLC6A2SLC6A3
SCHEMBL27472566 0.86 CYSLTR2 (0.47) HTR1DHTR1BPTGDR2NAAAPTGS2
SCHEMBL28076276 0.84 CYSLTR2 (0.49) HTR1DHTR1BSLC6A4SLC6A2DRD2
SCHEMBL11278522 0.84 CYSLTR2 (0.49) HTR1DHTR1BSLC6A4SLC6A2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1092647-C New antiviral substituted pyrimidinedione homocarbocyclic nucleoside derivatives and methods for preparation thereof and compositions containing the same as active ingredients SAMJIN PHARM CO LTD (KR) 2002-10-16 CN disclosed
CN-1182420-A Novel antiviral substituted pyrimidinedione homocarbocyclic nucleoside derivatives, process for preparing the same and composition containing the same as active ingredient SAMJIN PHARM CO LTD (KR) 1998-05-20 CN disclosed