SCHEMBL8808928

SCHEMBL8808928

Clc1ccc(-c2nc(CNC3CCCCCC3)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
POLB P06746 1/20 0.54
ACHE P22303 1/20 0.52
OPRL1 P41146 5/20 0.49
HRH3 Q9Y5N1 2/20 0.49
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
KCNH2 Q12809 2/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL28965124 0.80 DRD2 (0.44) DRD2DRD4DRD3POLBACHE
SCHEMBL8809145 0.76 POLB (0.83) POLBACHEOPRL1HRH3KCNH2
SCHEMBL15104644 0.76 SHMT2 (0.53) DRD2DRD4DRD3ACHEMAPT
SCHEMBL5863714 0.74 POLB (0.93) POLBACHEHRH3MEN1NPC1
SCHEMBL11615671 0.74 POLB (0.93) POLBACHEHRH3MEN1NPC1
SCHEMBL28958743 0.74 PDE10A (0.45) DRD2DRD4DRD3HRH3MAPT
SCHEMBL203617 0.73 GFER (1.00) GFERPOLBRHOCRHOAMAPT
SCHEMBL13031632 0.73 GFER (0.51) GFERMAPTMEN1NPC1ALDH1A1
SCHEMBL11112228 0.72 POLB (0.96) POLBACHEHRH3MEN1NPC1
SCHEMBL8808533 0.72 GFER (0.59) GFERDRD2DRD4DRD3RHOC

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
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed