SCHEMBL7855640

SCHEMBL7855640

CC(C)(C#N)c1ccc2[nH]cc(C3CCC(=O)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.44
HTR1B P28222 4/20 0.44
HTR1A P08908 2/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR1D P28221 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
THPO P40225 1/20 0.41
HTR1F P30939 1/20 0.41
IDO1 P14902 1/20 0.40
APP P05067 1/20 0.40

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
Ethylene SCHEMBL7484426 0.80 SLC6A4 (0.60) SLC6A4HTR1BHTR1ADRD1SLC6A2
SCHEMBL5792377 0.80 SLC6A4 (0.63) SLC6A4HTR1BHTR1ADRD1SLC6A2
Cyclohexanone SCHEMBL6635583 0.78 IDO1 (0.54) SLC6A4HTR1BHTR1ADRD1SLC6A2
SCHEMBL7808829 0.77 HTR1B (0.43) SLC6A4HTR1BHTR1ADRD1SLC6A2
Ethylene SCHEMBL6638987 0.76 SLC6A4 (0.54) SLC6A4HTR1BHTR1ADRD1SLC6A2
SCHEMBL6634183 0.75 SLC6A4 (0.56) SLC6A4HTR1BHTR1AHTR6HTR1D
SCHEMBL2217699 0.75 SLC6A4 (0.56) SLC6A4HTR1BHTR1AHTR2AHTR1D
SCHEMBL5793597 0.75 SLC6A4 (0.56) SLC6A4HTR1BHTR1ADRD1SLC6A2
SCHEMBL7843750 0.75 HTR1B (0.46) SLC6A4HTR1BHTR1ADRD1SLC6A2
SCHEMBL6634309 0.74 IDO1 (0.58) SLC6A4HTR1AHTR2AHTR6IDO1

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
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed