SCHEMBL8378076

SCHEMBL8378076

C=CCC(CO)C1c2ccccc2COc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HRH1 P35367 2/20 0.36
HTR1A P08908 1/20 0.30
TBXA2R P21731 1/20 0.30
PRCP P42785 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL8374387 0.84 HTR2A (0.36) HTR2AHTR2CHRH1PRCP
SCHEMBL8378073 0.80 HTR2A (0.36) HTR2AHTR2CHRH1TBXA2RPRCP
SCHEMBL8375640 0.76 TBXA2R (0.35) HTR2AHTR2CHRH1TBXA2R
SCHEMBL11614868 0.71 HTR2A (0.40) HTR2AHTR2CHRH1
SCHEMBL11837204 0.71 HTR2A (0.42) HTR2AHTR2CHRH1PRCP
SCHEMBL10188320 0.70 HTR2A (0.44) HTR2AHTR2CHRH1PRCP
SCHEMBL11845155 0.68 HTR2A (0.64) HTR2AHTR2CHRH1PRCP
SCHEMBL8353004 0.68 HTR2A (0.39) HTR2AHTR2CHRH1TBXA2R
SCHEMBL8375617 0.68 HTR2A (0.38) HTR2AHTR2CHRH1
SCHEMBL9331557 0.67 HTR2A (0.43) HTR2AHTR2CHRH1TBXA2RLTB4R

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-0733049-B1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORP (US) 1999-03-10 EP disclosed
US-5574173-A INHIBITORS OF TUMOR NECROSIS FACTOR SCHERING CORPORATION (US) 1996-11-12 US disclosed
EP-0733049-A1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORPORATION (US) 1996-09-25 EP disclosed
WO-1995015959-A1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORPORATION (US) 1995-06-15 WO disclosed