SCHEMBL8409148

SCHEMBL8409148

N#Cc1cccc(CCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
DRD2 P14416 3/20 0.53
MAOB P27338 2/20 0.48
ABCB1 P08183 4/20 0.46
FFAR1 O14842 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.43
BCHE P06276 6/20 0.42
AKR1B1 P15121 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
IMPDH2 P12268 1/20 0.40

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
SCHEMBL8408981 0.89 PTGER4 (0.53) FFAR1AKR1B1PTGER1PTGER4PTGER3
SCHEMBL27484581 0.85 MAOB (0.48) HTR1ADRD2MAOBFFAR1BCHE
Fluoride SCHEMBL28325117 0.84 MAOB (0.56) MAOBFFAR1AKR1B1SGMS2IMPDH2
SCHEMBL6035133 0.81 FFAR1 (0.48) MAOBFFAR1AKR1B1PTGER1PTGER4
SCHEMBL15602827 0.80 SGMS2 (0.52) HTR1ADRD2MAOBFFAR1SGMS2
SCHEMBL2507390 0.78 FFAR1 (0.48) HTR1ADRD2MAOBFFAR1
SCHEMBL1761232 0.78 MAOB (0.50) MAOBFFAR1AKR1B1SGMS2IMPDH2
SCHEMBL450088 0.78 KDM1A (0.50) HTR1AMAOBSGMS2IMPDH2
SCHEMBL8409150 0.77 MAOB (0.43) MAOBFFAR1BCHEAKR1B1PTGER1
SCHEMBL8409856 0.76 HTR1A (0.57) HTR1ADRD2MAOBABCB1FFAR1

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-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