SCHEMBL8506945

SCHEMBL8506945

C=Cc1ccc2[nH]cc(CCC3CCCN3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.66
HTR6 P50406 12/20 0.47
HTR1D P28221 1/20 0.40

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
SCHEMBL6968677 0.81 SLC6A4 (0.70) SLC6A4HTR6HTR1D
SCHEMBL8506913 0.81 SLC6A4 (0.70) SLC6A4HTR6HTR1D
SCHEMBL8506286 0.80 SLC6A4 (0.67) SLC6A4HTR6HTR1D
SCHEMBL8480264 0.79 SLC6A4 (0.80) SLC6A4HTR6
SCHEMBL6962932 0.79 SLC6A4 (0.66) SLC6A4HTR6HTR1D
SCHEMBL8507173 0.79 SLC6A4 (0.66) SLC6A4HTR6HTR1D
SCHEMBL8507360 0.79 SLC6A4 (0.66) SLC6A4HTR6HTR1D
SCHEMBL6974695 0.78 SLC6A4 (0.65) SLC6A4HTR6HTR1D
SCHEMBL6969543 0.77 SLC6A4 (0.64) SLC6A4HTR6HTR1D
SCHEMBL8506246 0.76 SLC6A4 (0.62) SLC6A4HTR6HTR1D

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
US-5998462-A SEROTONIN RECEPTOR ANTAGONIST ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-12-07 US disclosed