SCHEMBL7855641

SCHEMBL7855641

CC(C)c1[nH]c2ccc(C#N)cc2c1C1CCC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CHUK O15111 1/20 0.38
AR P10275 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
SLC6A4 P31645 12/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 4/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FASN P49327 1/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 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
SCHEMBL7808827 0.84 L3MBTL1 (0.41) L3MBTL1CHUKARGSK3AGSK3B
SCHEMBL7843747 0.81 HTR6 (0.50) L3MBTL1ARGSK3AGSK3BCDK5
SCHEMBL7832966 0.75 MEN1 (0.44) GSK3BCDK5CDK5R1SLC6A4MEN1
SCHEMBL5792377 0.71 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR1ADRD1
Ethylene SCHEMBL7484426 0.69 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL7450455 0.68 HTR6 (0.40) L3MBTL1CHUKARSLC6A4SLC6A2
SCHEMBL6086690 0.67 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL3889321 0.67 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6087602 0.67 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6639951 0.67 HTR1A (0.52) SLC6A4HTR1A

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