SCHEMBL6183532

SCHEMBL6183532

CC(C)COC(=O)N1CCC(N(Cc2ccccc2C#N)CC(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.60
SLC6A4 P31645 9/20 0.60
NOS1 P29475 6/20 0.45
NOS2 P35228 6/20 0.45
SLC6A3 Q01959 4/20 0.41
PGR P06401 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 2/20 0.41
GPR119 Q8TDV5 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
SCHEMBL5996682 0.87 SLC6A2 (0.59) SLC6A2SLC6A4NOS1NOS2GPR119
SCHEMBL3645098 0.77 MEN1 (0.56) SLC6A2SLC6A4CYP2C9GPR119
SCHEMBL5995922 0.75 SLC6A2 (1.00) SLC6A2SLC6A4NOS1NOS2SLC6A3
SCHEMBL3914840 0.74 NOS2 (0.47) NOS1NOS2
Fumaric Acid SCHEMBL5993894 0.74 SLC6A2 (1.00) SLC6A2SLC6A4NOS1NOS2SLC6A3
SCHEMBL6185559 0.72 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6GPR119
SCHEMBL5993914 0.71 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3GPR119
SCHEMBL5992970 0.71 GPR119 (0.46) GPR119
Acetic Acid SCHEMBL5993263 0.69 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3GPR119
SCHEMBL6205072 0.69 SLC6A4 (0.61) SLC6A2SLC6A4SLC6A3

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-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed