SCHEMBL8409569

SCHEMBL8409569

c1ccc(CCc2cccc(-c3ccccc3)c2OCc2ccc(-c3nnn[nH]3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.40
PTGER3 P43115 5/20 0.40
PTGER1 P34995 4/20 0.40
PTGER2 P43116 4/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
ABCB1 P08183 3/20 0.38
GP6 Q9HCN6 1/20 0.35
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
BCHE P06276 2/20 0.33
GSTP1 P09211 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL8409136 0.87 HTR1A (0.39) PTGER4PTGER3PTGER1PTGER2HTR1A
SCHEMBL8409057 0.84 HTR1A (0.37) PTGER4PTGER3PTGER1PTGER2HTR1A
SCHEMBL8320664 0.83 HTR1A (0.61) PTGER4PTGER3PTGER1PTGER2HTR1A
SCHEMBL8408170 0.83 HTR1A (0.61) PTGER4PTGER3PTGER1PTGER2HTR1A
SCHEMBL6280559 0.79 PRMT5 (0.37) HTR1ADRD2ABCB1
SCHEMBL6957069 0.78 MAOA (0.39) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL8325617 0.76 PTGER1 (0.55) PTGER4PTGER3PTGER1PTGER2HTR1A
SCHEMBL6277284 0.76 ABCB1 (0.42) HTR1ADRD2ABCB1FFAR1FFAR4
SCHEMBL8409574 0.76 HTR1A (0.45) PTGER4PTGER3PTGER1PTGER2HTR1A
SCHEMBL8405902 0.75 HTR1A (0.44) PTGER1HTR1ADRD2ABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP claimed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP claimed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO claimed
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO disclosed