SCHEMBL7843747

SCHEMBL7843747

CCc1[nH]c2ccc(C#N)cc2c1C1CCC(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A4 P31645 10/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CSF1R P07333 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
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
PARP1 P09874 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL7832966 0.84 MEN1 (0.44) MEN1KMT2ASLC6A4CSF1RGSK3B
SCHEMBL7808827 0.84 L3MBTL1 (0.41) HTR6MEN1KMT2ASLC6A4L3MBTL1
SCHEMBL7844479 0.81 HTR6 (0.50) HTR6SLC6A4
SCHEMBL7855641 0.81 L3MBTL1 (0.39) HTR6MEN1KMT2ASLC6A4L3MBTL1
SCHEMBL6613430 0.74 MEN1 (0.47) HTR6MEN1KMT2ASLC6A4SLC6A2
SCHEMBL6672565 0.74 MEN1 (0.47) HTR6MEN1KMT2ASLC6A4SLC6A2
SCHEMBL5792377 0.71 SLC6A4 (0.63) HTR6SLC6A4SLC6A2SLC6A3
Ethylene SCHEMBL7484426 0.69 SLC6A4 (0.60) HTR6SLC6A4SLC6A2SLC6A3
SCHEMBL373751 0.69 HTR6 (0.69) HTR6SLC6A4
SCHEMBL31146114 0.68 FASN (0.46) MEN1KMT2ASLC6A4L3MBTL1CSF1R

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