SCHEMBL6970317

SCHEMBL6970317

[CH2]CCCCCC1C=CCc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
HRH1 P35367 2/20 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
SCHEMBL8215822 0.83 CYP2D6 (0.36) HTR2AHRH1
SCHEMBL7608278 0.77 HTR2A (0.34) HTR2AHRH1
SCHEMBL30616036 0.73 HTR2A (0.35) HTR2AHRH1
SCHEMBL11503546 0.73 HTR2A (0.35) HTR2AHRH1
SCHEMBL11010687 0.70 SLC22A1 (0.42) HTR2AHRH1
SCHEMBL7294434 0.69 ATM (0.33) HTR2AHRH1
SCHEMBL28115700 0.69 IDO1 (0.34) HTR2AHRH1
SCHEMBL293750 0.69
SCHEMBL293031 0.67
SCHEMBL31276808 0.66 HTR2A (0.35) HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848004-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-04-02 EP disclosed
US-5955616-A PROSTAGLANDIN INHIBITORS SHIONOGI & CO., LTD. (JP) 1999-09-21 US disclosed
EP-0848004-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 1998-06-17 EP disclosed