SCHEMBL6464068

SCHEMBL6464068

CCCO[C@@H]1CC[C@@H]2CC(C3CCc4cc(CCC)ccc4C3)CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.39
DRD2 P14416 10/20 0.39
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
S1PR3 Q99500 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
S1PR1 P21453 4/20 0.34
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL6464072 1.00 DRD3 (0.39) DRD3DRD2HTR2CHTR2BS1PR3
SCHEMBL6454575 0.93 DRD3 (0.40) DRD3DRD2HTR2CHTR2BS1PR3
SCHEMBL6454356 0.93 S1PR1 (0.39) DRD3DRD2S1PR3CYP3A4CYP2C8
SCHEMBL6454354 0.93 S1PR1 (0.39) DRD3DRD2S1PR3CYP3A4CYP2C8
SCHEMBL6454579 0.93 DRD3 (0.40) DRD3DRD2HTR2CHTR2BS1PR3
SCHEMBL6454298 0.93 DRD3 (0.41) DRD3DRD2HTR2CHTR2BS1PR3
SCHEMBL6454304 0.93 DRD3 (0.41) DRD3DRD2HTR2CHTR2BS1PR3
SCHEMBL6454564 0.92 S1PR3 (0.39) DRD3DRD2S1PR3CYP3A4CYP2C8
SCHEMBL6454566 0.92 S1PR3 (0.39) DRD3DRD2S1PR3CYP3A4CYP2C8
SCHEMBL6465133 0.92 S1PR1 (0.43) DRD3DRD2HTR2CS1PR3CYP3A4

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
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed