SCHEMBL2655419

SCHEMBL2655419

Oc1ccccc1CCCCF

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
MGLL Q99685 1/20 0.58
MPO P05164 9/20 0.53
SLC6A4 P31645 2/20 0.53
HSPA5 P11021 1/20 0.50
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
HTR1A P08908 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1B1 P15121 1/20 0.43

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
SCHEMBL15437937 0.98 MGLL (0.61) TAAR1MGLLMPOSLC6A4HSPA5
SCHEMBL7110446 0.98 MGLL (0.61) TAAR1MGLLMPOSLC6A4HSPA5
SCHEMBL27661757 0.93 TAAR1 (0.61) TAAR1MGLLMPOSLC6A4HSPA5
SCHEMBL3800530 0.89 TAAR1 (0.65) TAAR1MGLLMPOSLC6A4HSPA5
SCHEMBL8402231 0.86 MGLL (0.66) TAAR1MGLLMPOSLC6A4HSPA5
SCHEMBL28176757 0.86 MGLL (0.66) TAAR1MGLLMPOSLC6A4HSPA5
SCHEMBL8401980 0.86 MGLL (0.66) TAAR1MGLLMPOSLC6A4HSPA5
SCHEMBL8401990 0.86 MGLL (0.66) TAAR1MGLLMPOSLC6A4HSPA5
SCHEMBL8398317 0.86 MGLL (0.66) TAAR1MGLLMPOSLC6A4HSPA5
SCHEMBL8400524 0.86 MGLL (0.66) TAAR1MGLLMPOSLC6A4HSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207877-A2 MUTANT ENZYMES ISIS Innovation Limited (GB) 2010-07-21 EP disclosed
WO-2009047498-A2 MUTANT ENZYMES ISIS INNOVATION LIMITED (GB) 2009-04-16 WO disclosed
WO-2007138381-A2 PHOSPHONATED OXAZOLIDINONES AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-12-06 WO disclosed
WO-2007120012-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2007-10-25 WO disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
EP-1456151-A1 METHOD FOR FORMING A CARBON-CARBON OR CARBON-HETEROATOM LINKAGE RHODIA CHIMIE (FR) 2004-09-15 EP disclosed
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO disclosed
EP-1325388-A2 AQUEOUS DEVELOPER FOR NEGATIVE WORKING LITHOGRAPHIC PRINTING PLATES Kodak Polychrome Graphics GmbH (DE) 2003-07-09 EP disclosed
WO-2003053885-A1 METHOD FOR FORMING A CARBON-CARBON OR CARBON-HETEROATOM LINKAGE RHODIA CHIMIE (FR) 2003-07-03 WO disclosed
WO-2002031599-A2 AQUEOUS DEVELOPER FOR NEGATIVE WORKING LITHOGRAPHIC PRINTING PLATES KODAK POLYCHROME GRAPHICS COMPANY LTD. (US) 2002-04-18 WO disclosed