SCHEMBL6551552

SCHEMBL6551552

CCC1CN(c2cccc3cc(F)ccc23)CCN1CCC1OCCc2sc(C(N)=O)cc21

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.63
HTR1B P28222 14/20 0.63
SLC6A4 P31645 12/20 0.63
HTR1A P08908 7/20 0.63
DRD2 P14416 2/20 0.58
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA1B P35368 2/20 0.58

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
SCHEMBL6551554 1.00 HTR1D (0.63) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6551575 0.91 HTR1D (0.75) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6552757 0.91 HTR1D (0.75) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6551578 0.91 HTR1D (0.75) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811073 0.86 HTR1D (0.83) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811807 0.86 HTR1D (0.83) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811577 0.81 HTR1D (0.82) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6551562 0.80 HTR1D (0.75) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6552907 0.80 HTR1D (0.75) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6551563 0.80 HTR1D (0.75) HTR1DHTR1BSLC6A4HTR1ADRD2

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-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed