SCHEMBL8797657

SCHEMBL8797657

Cc1ccc(C)c2c1OCc1ccccc1C2C#N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HRH1 P35367 2/20 0.33
CYP2D6 P10635 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8798009 0.91 ALDH1A1 (0.31) HTR2AHTR2CHRH1GAA
SCHEMBL8797964 0.83 HTR2A (0.34) HTR2AHTR2CHRH1
SCHEMBL8797817 0.79 ALDH1A1 (0.31) SLC6A2SLC6A4
SCHEMBL10446931 0.79 HTR2A (0.35) HTR2AHTR2CHRH1CYP2D6SLC6A2
SCHEMBL19334942 0.79 HTR2A (0.35) HTR2AHTR2CHRH1CYP2D6SLC6A2
SCHEMBL10444651 0.75 HTR2A (0.38) HTR2AHTR2CHRH1CYP2D6SLC6A2
SCHEMBL8797797 0.75 IMPDH2 (0.36) HTR2AHTR2CHRH1CYP2D6SLC6A2
SCHEMBL8799249 0.75 ALDH1A1 (0.40) HTR2AHTR2CHRH1
SCHEMBL7522168 0.74 MAPT (0.38) HTR2AHTR2CHRH1CYP2D6SLC6A2
SCHEMBL7526416 0.73 HTR2A (0.40) HTR2AHTR2CHRH1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP disclosed
US-5478835-A Acyl coenzyme A: acyltransferase inhibitors; treatment of hyperlipemia and arteriosclerosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed