SCHEMBL3969152

SCHEMBL3969152

NC(=O)C1CCC(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
ADRB2 P07550 1/20 0.47
HRH1 P35367 4/20 0.45
CCR3 P51677 4/20 0.45
HTR7 P34969 2/20 0.44
HTR2A P28223 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
OPRK1 P41145 1/20 0.43
ADRA1B P35368 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
SCHEMBL14715680 1.00 NAMPT (0.48) NAMPTADRB2HRH1CCR3HTR7
SCHEMBL3963463 0.88 NAMPT (0.48) NAMPTADRB2HRH1CCR3HTR7
SCHEMBL3084998 0.86 NAMPT (0.55) NAMPTOPRK1
SCHEMBL3085000 0.86 NAMPT (0.55) NAMPTOPRK1
SCHEMBL3959408 0.85 EPHX2 (0.50) NAMPTHTR2A
SCHEMBL14715697 0.85 HRH1 (0.46) HRH1CCR3
SCHEMBL3963825 0.85 HRH1 (0.46) HRH1CCR3
SCHEMBL3087492 0.84 DRD3 (0.51) NAMPTHTR2A
SCHEMBL3067860 0.84 HTR7 (0.46) NAMPTADRB2HTR7HTR2AADRA1B
SCHEMBL3067858 0.84 HTR7 (0.46) NAMPTADRB2HTR7HTR2AADRA1B

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