SCHEMBL8798181

SCHEMBL8798181

N#CC1c2cc(Br)ccc2COc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.36
HTR2A P28223 8/20 0.34
HTR2C P28335 8/20 0.34
HRH1 P35367 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 2/20 0.33
AHR P35869 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD1 P21728 1/20 0.32
HTR7 P34969 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
SCHEMBL7520603 0.90 DRD2 (0.39) TBXA2RHTR2AHTR2CHRH1SLC6A2
SCHEMBL8799491 0.90 TBXA2R (0.36) TBXA2RHTR2AHTR2CHTR2BDRD2
SCHEMBL7526416 0.85 HTR2A (0.40) HTR2AHTR2CHRH1
SCHEMBL8797971 0.83 KDM4E (0.35) TBXA2RHTR2AHTR2CSLC6A2HTR2B
SCHEMBL9196224 0.81 TDP1 (0.41) HTR2AHTR2CSLC6A2SLC6A4HTR2B
SCHEMBL11272135 0.75 HTR2B (0.36) HTR2AHTR2CHRH1SLC6A2SLC6A4
SCHEMBL9063943 0.75 TBXA2R (0.41) TBXA2RHTR2AHTR2CHRH1SLC6A2
SCHEMBL7509159 0.75 TBXA2R (0.41) TBXA2RHTR2AHTR2CHRH1SLC6A2
SCHEMBL8797713 0.74 TBXA2R (0.44) TBXA2RDRD2DRD3
SCHEMBL8797896 0.74 DRD2 (0.33) TBXA2RHTR2AHTR2CHRH1HTR2B

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