SCHEMBL27675649

SCHEMBL27675649

O=CCC1CCCC1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.39
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL10676736 0.79 MEN1 (0.42) HTR2AHTR2CHTR2B
SCHEMBL10675977 0.79 MEN1 (0.42) HTR2AHTR2CHTR2B
SCHEMBL10676739 0.79 MEN1 (0.42) HTR2AHTR2CHTR2B
SCHEMBL6406073 0.79 MEN1 (0.42) HTR2AHTR2CHTR2B
SCHEMBL10675972 0.79 MEN1 (0.42) HTR2AHTR2CHTR2B
SCHEMBL27483145 0.77 HTR2A (0.44) GRIA4HTR2AHTR2CHTR2BSLC6A3
SCHEMBL10123338 0.76 HTR2C (0.45) HTR2CHDAC8HDAC6HDAC1
SCHEMBL3554788 0.74 HDAC8 (0.50) GRIA4HDAC8HDAC6HDAC1
SCHEMBL21668620 0.72 SLC6A3 (0.48) GRIA4HTR2AHTR2CHTR2BSLC6A3
SCHEMBL25332827 0.72 HDAC8 (0.51) HDAC8HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1890238-A Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARM GMBH (DE) 2007-01-03 CN disclosed