SCHEMBL693828

SCHEMBL693828

[CH2]CCc1cc(Cl)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.53
STAT3 P40763 1/20 0.50
KMT2A Q03164 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49

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
SCHEMBL2214436 0.84 KMT2A (0.52) PTGER1STAT3KMT2A
SCHEMBL8676962 0.83 ELANE (0.52) PTGER1KMT2AHTR1ADRD2
SCHEMBL4720836 0.83 PTGER1 (0.56) PTGER1STAT3SLC6A4
SCHEMBL2954443 0.81 MAPT (0.60) PTGER1
SCHEMBL1196687 0.81 CCR5 (0.64) PTGER1STAT3KMT2ASLC6A4
SCHEMBL562155 0.81 PTGER1 (0.55) PTGER1STAT3SLC6A4
SCHEMBL2214441 0.81 PTGER1 (0.53) PTGER1STAT3KMT2A
SCHEMBL4268295 0.80 HTR1A (0.73) PTGER1KMT2AHTR1ADRD2
SCHEMBL30557975 0.80 PTGER1 (0.54) PTGER1STAT3SLC6A4
Hydrochloric Acid SCHEMBL6214742 0.80 CCR5 (0.62) PTGER1STAT3KMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421834-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed