SCHEMBL16686992

SCHEMBL16686992

CC(C#N)N1CC2(CCC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC18A3 Q16572 4/20 0.36
SIGMAR1 Q99720 3/20 0.36
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FFAR1 O14842 1/20 0.32
AKT1 P31749 3/20 0.31
P2RY1 P47900 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL12715915 0.83 NOTUM (0.54) NOTUMSLC6A2SLC6A4SLC18A3SIGMAR1
SCHEMBL16684820 0.80 SLC6A2 (0.45) NOTUMSLC6A2SLC6A4HTR2C
SCHEMBL13209332 0.76 NOTUM (0.51) NOTUMSLC6A2SLC6A4SLC18A3SIGMAR1
SCHEMBL23666366 0.73 SLC6A2 (0.48) NOTUMSLC6A2SLC6A4SLC18A3SIGMAR1
SCHEMBL9917019 0.72 NOTUM (0.60) NOTUMSLC6A2SLC6A4SLC18A3SIGMAR1
SCHEMBL31573145 0.72 NOTUM (0.60) NOTUMSLC6A2SLC6A4SLC18A3SIGMAR1
SCHEMBL17452502 0.70 AKT1 (0.46) NOTUMSLC6A2SLC6A4SIGMAR1FFAR1
SCHEMBL22003919 0.70 NOTUM (0.42) NOTUMSLC6A2SLC6A4SLC18A3SIGMAR1
SCHEMBL13518854 0.70 AKT1 (0.47) NOTUMSLC6A2SLC6A4SLC18A3SIGMAR1
SCHEMBL13518853 0.69 NOTUM (0.41) NOTUMSLC6A2SLC6A4SLC18A3SIGMAR1

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
WO-2015066344-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed