SCHEMBL3962860

SCHEMBL3962860

NC(=O)CC1CCC(CCN2CCC(Oc3ccc(F)c(F)c3F)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.37
DRD3 P35462 4/20 0.37
HTR2A P28223 3/20 0.37
OPRK1 P41145 1/20 0.36
DRD2 P14416 3/20 0.36
FFAR4 Q5NUL3 2/20 0.36
HRH1 P35367 2/20 0.36
CCR3 P51677 2/20 0.36
KCNH2 Q12809 1/20 0.36
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35

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
SCHEMBL3964447 0.86 GRM2 (0.44) DRD2HRH1CCR3KCNH2
SCHEMBL3959671 0.84 HTR2A (0.40) NAMPTPOLBDRD3HTR2AOPRK1
SCHEMBL3962626 0.82 HRH1 (0.46) HRH1CCR3KCNH2
SCHEMBL14715681 0.82 DRD3 (0.55) POLBDRD3HTR2ADRD2HTR1A
SCHEMBL3079550 0.82 DRD3 (0.55) POLBDRD3HTR2ADRD2HTR1A
SCHEMBL3963463 0.81 NAMPT (0.48) NAMPTHTR2AOPRK1HRH1CCR3
SCHEMBL3964470 0.80 CCR3 (0.45) NAMPTOPRK1FFAR4HRH1CCR3
SCHEMBL3963467 0.80 HRH1 (0.43) DRD3OPRK1DRD2FFAR4HRH1
SCHEMBL3965016 0.78 FPR2 (0.46) DRD3HTR2AOPRK1HRH1CCR3
SCHEMBL3966448 0.77 DRD2 (0.49) DRD3HTR2ADRD2HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP claimed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed