SCHEMBL6498937

SCHEMBL6498937

CC(c1ccccc1)c1cncc(C(=O)N2CCC(c3cccc(C#N)c3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 13/20 0.46
SCD5 Q86SK9 2/20 0.44
MGLL Q99685 3/20 0.43
SCD O00767 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL7026391 0.86 CA12 (0.42) SCD5MGLLSCDHRH3
Hydrochloric Acid SCHEMBL4399044 0.85 CA12 (0.41) SCD5MGLLSCDHRH3
SCHEMBL1871107 0.84 GRM5 (0.48) FASNSCD5SCDDRD2DRD3
SCHEMBL1872127 0.83 F10 (0.43) MGLL
SCHEMBL1870286 0.83 ALDH1A1 (0.47) MGLLHRH3DRD2
Hydrochloric Acid SCHEMBL1867554 0.83 F10 (0.43) MGLL
Hydrochloric Acid SCHEMBL4404465 0.83 TPSAB1 (0.51)
SCHEMBL6498941 0.81 DRD2 (0.52) FASNSCD5MGLLSCDDRD2
Hydrochloric Acid SCHEMBL7022802 0.81 DRD2 (0.39) FASNMGLLDRD2
Hydrochloric Acid SCHEMBL4395981 0.78 TPSAB1 (0.41) MGLL

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
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed