SCHEMBL7936788

SCHEMBL7936788

N#Cc1ccc(Cc2ncc(CN(C(=O)c3ccccc3)C3CCNC3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
MAPKAPK2 P49137 1/20 0.44
MBTPS1 Q14703 10/20 0.44
NSD2 O96028 2/20 0.44
BRS3 P32247 1/20 0.44
NSD3 Q9BZ95 1/20 0.43
SLC6A9 P48067 1/20 0.42
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41
SLC6A3 Q01959 2/20 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
Hydrochloric Acid SCHEMBL7936709 0.99 SLC6A2 (0.46) SLC6A2SLC6A4MAPKAPK2MBTPS1NSD2
SCHEMBL7937465 0.90 SLC6A2 (0.54) SLC6A2SLC6A4MAPKAPK2MBTPS1NSD2
Hydrochloric Acid SCHEMBL7937463 0.89 SLC6A2 (0.53) SLC6A2SLC6A4MAPKAPK2MBTPS1NSD2
SCHEMBL7939447 0.88 BRS3 (0.54) SLC6A2SLC6A4MAPKAPK2BRS3SLC6A3
SCHEMBL7935967 0.87 SLC6A2 (0.48) SLC6A2SLC6A4MBTPS1BRS3SLC6A9
SCHEMBL7933715 0.83 MAPKAPK2 (0.41) SLC6A2SLC6A4MAPKAPK2BRS3SLC6A3
Hydrochloric Acid SCHEMBL7936809 0.81 SLC6A2 (0.46) SLC6A2SLC6A4MAPKAPK2BRS3SLC6A3
SCHEMBL7841577 0.78 NOS2 (0.47) SLC6A2SLC6A4MAPKAPK2BRS3SLC6A3
SCHEMBL7933719 0.76 SLC6A2 (0.51) SLC6A2SLC6A4MBTPS1SLC6A3
SCHEMBL7933791 0.76 SLC6A2 (0.53) SLC6A2SLC6A4BRS3SLC6A3

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-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed