SCHEMBL6427484

SCHEMBL6427484

CC(C)(C)OC(=O)N1CCN(c2nccc3c2ccn3Cc2ccccc2)CC1.O=C(O)N1CCN(c2nccc3[nH]ccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
BCHE P06276 1/20 0.44
HTR6 P50406 1/20 0.44
KIT P10721 2/20 0.43
GRIA1 P42261 1/20 0.42
MAPK1 P28482 1/20 0.41
ALK Q9UM73 1/20 0.41
TLR9 Q9NR96 4/20 0.39
TLR7 Q9NYK1 2/20 0.39
GBA1 P04062 2/20 0.39
ACACB O00763 1/20 0.38
P2RX7 Q99572 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1775734 0.82 HTR6 (0.46) HTR6ACACBMEN1KMT2A
SCHEMBL1774609 0.82 KIT (0.51) ACHEKITGRIA1GBA1CKS1B
SCHEMBL1773779 0.75 KIT (0.48) KIT
SCHEMBL1774570 0.71 HTR6 (0.62) ACHEBCHEHTR6KITGBA1
SCHEMBL6665233 0.69 HTR6 (0.68) ACHEHTR6
SCHEMBL1255986 0.68 ACHE (0.59) ACHEKITGRIA1GBA1CKS1B
SCHEMBL5068821 0.68 KIT (0.51) ACHEKITGRIA1GBA1CKS1B
SCHEMBL6180135 0.67 HTR1A (0.49) ACHEBCHEHTR6KITGRIA1
SCHEMBL1537795 0.67 GAA (0.60) HTR6
SCHEMBL30885791 0.67 GAA (0.60) HTR6

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-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP disclosed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 WO disclosed