SCHEMBL5634701

SCHEMBL5634701

CNC1CCc2cc(CNCC(C)O)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
DRD4 P21917 2/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
ACHE P22303 3/20 0.36
GRIN2B Q13224 3/20 0.35
TAOK1 Q7L7X3 1/20 0.35
PRMT5 O14744 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
SCHEMBL4795775 0.83 HTR1D (0.44) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL4795282 0.82 HTR1D (0.40) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL4792617 0.81 HTR1D (0.43) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL4795321 0.81 HTR1D (0.51) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL5633617 0.80 HDAC6 (0.43) CYP2D6CYP1A2HTR1DHTR1BDRD2
SCHEMBL5634698 0.80 CYP2D6 (0.39) CYP2D6ALDH1A1CYP1A2DRD2DRD3
SCHEMBL4794873 0.79 CA1 (0.40) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL5935175 0.78 HTR1D (0.40) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL20884062 0.77 HTR1D (0.48) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL4792237 0.76 CA1 (0.40) HTR1DHTR1BDRD2DRD3DRD4

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
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed