SCHEMBL8797797

SCHEMBL8797797

Cc1cc2c(cc1C)C(C#N)c1ccccc1CO2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HRH1 P35367 2/20 0.36
TBXA2R P21731 2/20 0.36
TERT O14746 1/20 0.33
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B3 P37058 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
SCHEMBL7522168 0.84 MAPT (0.38) HTR2AHTR2CHRH1TBXA2RTERT
SCHEMBL7525559 0.82 CYP3A4 (0.36) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL7526416 0.81 HTR2A (0.40) HTR2AHTR2CHRH1TERTKMT2A
SCHEMBL8797964 0.79 HTR2A (0.34) HTR2AHTR2CHRH1TBXA2RTERT
SCHEMBL8799249 0.79 ALDH1A1 (0.40) IMPDH2IMPDH1HTR2AHTR2CHRH1
SCHEMBL11278667 0.78 MAOB (0.42) HTR2AHTR2CHRH1TERTSLC6A2
SCHEMBL7520603 0.78 DRD2 (0.39) HTR2AHTR2CHRH1TBXA2RSLC6A2
SCHEMBL7526493 0.78 DRD2 (0.39) CYP2D6SLC6A2SLC6A4
SCHEMBL8797546 0.78 HTR7 (0.36) HTR2AHTR2CHRH1TBXA2RCYP2D6
SCHEMBL11271280 0.78 MAPT (0.47) HTR2AHTR2CTBXA2RMEN1MAPT

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