SCHEMBL8819815

SCHEMBL8819815

CCCCN1CCC(c2c[nH]c3ccc(OCC)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.56
HTR1A P08908 9/20 0.56
DRD2 P14416 7/20 0.56
HTR7 P34969 6/20 0.56
HTR6 P50406 6/20 0.56
HTR2A P28223 5/20 0.56
ADRA1D P25100 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
SCHEMBL8820411 0.91 SLC6A4 (0.60) SLC6A4HTR1ADRD2HTR7HTR6
Trifluoromethanesulfonic Acid SCHEMBL7870840 0.90 SLC6A4 (0.50) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL9031074 0.83 HTR1A (0.47) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL7482980 0.82 HTR1D (0.50) SLC6A4HTR1ADRD2HTR7HTR6
Trifluoromethanesulfonic Acid SCHEMBL7867294 0.82 DRD2 (0.52) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL18474133 0.81 MTNR1A (0.49) SLC6A4HTR1AHTR7HTR6HTR2A
SCHEMBL7485048 0.80 HTR1D (0.51) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL8880695 0.80 SLC6A4 (0.67) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL8876508 0.80 HTR6 (0.55) SLC6A4HTR1AHTR6HTR2A
SCHEMBL7489644 0.79 HTR1D (0.53) SLC6A4HTR1ADRD2HTR7HTR6

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
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed