SCHEMBL2650069

SCHEMBL2650069

CSc1sc(NC(=O)Nc2ccc(N3CCOCC3)cc2C(=O)C2CCCC2)nc1CCS(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.35
LRRK2 Q5S007 1/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
FLT3 P36888 3/20 0.34
TTK P33981 1/20 0.33
FBP1 P09467 1/20 0.33
CASP3 P42574 1/20 0.33
TERT O14746 1/20 0.32

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
SCHEMBL1342099 0.88 GHSR (0.39) GHSRCHRNA4SLC6A3ALDH1A1MAPT
SCHEMBL1340569 0.88 ALDH1A1 (0.37) GHSRCHRNA4SLC6A3ALDH1A1MAPT
SCHEMBL1342140 0.84 MAPT (0.38) GHSRCHRNA4SLC6A3ALDH1A1MAPT
SCHEMBL1342564 0.83 ALDH1A1 (0.39) GHSRCHRNA4SLC6A3ALDH1A1MAPT
SCHEMBL1342746 0.80 GHSR (0.40) GHSRCHRNA4SLC6A3ALDH1A1MAPT
SCHEMBL1342468 0.79 GHSR (0.40) GHSRCHRNA4SLC6A3ALDH1A1MAPT
SCHEMBL1343043 0.79 GHSR (0.43) GHSRCHRNA4SLC6A3ALDH1A1MAPT
SCHEMBL1341204 0.79 GHSR (0.39) GHSRCHRNA4SLC6A3ALDH1A1MAPT
SCHEMBL1339126 0.78 GCK (0.45) GHSRCHRNA4SLC6A3ALDH1A1MAPT
SCHEMBL1342690 0.78 CASR (0.39) GHSRCHRNA4SLC6A3ALDH1A1MAPT

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed