SCHEMBL8799491

SCHEMBL8799491

N#CC1c2cc(Br)ccc2COc2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ADRA2A P08913 1/20 0.34
BLM P54132 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
NPR1 P16066 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
AHR P35869 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
SCHEMBL8797971 0.92 KDM4E (0.35) TBXA2RDRD2DRD3ADRA2ACYP1A2
SCHEMBL7520603 0.91 DRD2 (0.39) TBXA2RDRD2DRD3ADRA2AHTR2A
SCHEMBL8798181 0.90 TBXA2R (0.36) TBXA2RDRD2DRD3ADRA2AHTR2A
SCHEMBL8797896 0.80 DRD2 (0.33) TBXA2RDRD2DRD3ADRA2ABLM
SCHEMBL8798327 0.77 DRD2 (0.33) DRD2DRD3ADRA2ABLMTP53
SCHEMBL9196224 0.75 TDP1 (0.41) TDP1LMNAHTR2AHTR2CHTR2B
SCHEMBL11278667 0.74 MAOB (0.42) DRD2DRD3ADRA2AMAPTHCRTR2
SCHEMBL7526493 0.74 DRD2 (0.39) DRD2DRD3CYP3A4
SCHEMBL7522168 0.74 MAPT (0.38) TBXA2RCYP3A4TSHRMAPTHTR2A
SCHEMBL7526416 0.72 HTR2A (0.40) LMNAHTR2AHTR2C

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