SCHEMBL6743669

SCHEMBL6743669

CN1C2C=C(c3ccccc3C(S)c3cccc4ccccc34)CC1CC2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.58
SLC6A3 Q01959 6/20 0.58
SLC6A2 P23975 5/20 0.58
HTR1A P08908 2/20 0.38
HTR6 P50406 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35

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
SCHEMBL3423701 0.85 SLC6A3 (0.66) SLC6A4SLC6A3SLC6A2HTR1AHTR6
SCHEMBL8107623 0.73 SLC6A2 (0.57) SLC6A4SLC6A3SLC6A2HTR1AHTR6
SCHEMBL8207336 0.73 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2HTR1AHTR6
SCHEMBL5829586 0.72 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2HTR6NOS3
SCHEMBL5829683 0.72 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2HTR1AHTR6
SCHEMBL1020817 0.72 SLC6A2 (0.69) SLC6A4SLC6A3SLC6A2HTR1AHTR6
SCHEMBL1020818 0.72 SLC6A2 (0.69) SLC6A4SLC6A3SLC6A2HTR1AHTR6
SCHEMBL7806031 0.71 SLC6A4 (0.80) SLC6A4SLC6A3SLC6A2HTR6
SCHEMBL2889995 0.71 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2HTR1AHTR6
SCHEMBL2889993 0.71 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2HTR1AHTR6

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-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed