SCHEMBL5730837

SCHEMBL5730837

FOc1ccc(C(F)(F)F)cc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR2B P41595 1/20 0.60
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
RXRG P48443 2/20 0.54
MRGPRX4 Q96LA9 11/20 0.50
LRRK2 Q5S007 3/20 0.48
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PTGER1 P34995 1/20 0.45

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
SCHEMBL1332171 0.86 HTR2C (0.59) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL1333232 0.83 HTR2C (0.58) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL18703359 0.83 MRGPRX4 (0.61) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL1331639 0.83 HTR2C (0.58) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL385216 0.82 HTR2C (0.58) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL28074627 0.82 HTR2C (0.55) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL4150404 0.81 HTR2C (0.56) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL6080280 0.81 MRGPRX4 (0.57) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL1332170 0.81 SLC6A4 (0.56) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL31020080 0.81 RXRA (0.57) HTR2CSLC6A4HTR2BRXRARXRB

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-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed