SCHEMBL6595451

SCHEMBL6595451

Cc1ccc(NC(=O)N2CCOCC2)cc1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.58
HTR1B P28222 10/20 0.54
CHRM2 P08172 1/20 0.54
DRD2 P14416 1/20 0.54
HTR1A P08908 1/20 0.51
HTR1F P30939 1/20 0.51

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
SCHEMBL6598060 0.90 HTR1D (0.55) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL6595208 0.89 HTR1D (0.61) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL6596015 0.88 HTR1D (0.63) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL6598083 0.87 HTR1D (0.59) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL6595427 0.87 HTR1D (0.59) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL6597296 0.86 HTR1D (0.76) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL6595304 0.86 HTR1D (0.59) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL6598851 0.86 HTR1D (0.58) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL6597926 0.85 HTR1D (0.71) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL6598475 0.84 HTR1D (0.60) HTR1DHTR1BCHRM2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305307-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-05-06 EP claimed