SCHEMBL8819825

SCHEMBL8819825

CCc1ccc2c(C3CCNCC3)csc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
DRD2 P14416 1/20 0.41
HTR6 P50406 5/20 0.38
HTR2C P28335 7/20 0.36
HTR1A P08908 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
MTNR1A P48039 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE7A Q13946 1/20 0.34

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
SCHEMBL8820684 0.89 MTNR1A (0.41) SLC6A4DRD2HTR6HTR2CHTR1A
SCHEMBL7867549 0.85 HTR6 (0.42) SLC6A4DRD2HTR6HTR1ASLC6A2
SCHEMBL7468044 0.78 SLC6A2 (0.44) SLC6A4HTR6HTR1ASLC6A2SLC6A3
SCHEMBL7010863 0.78 MTNR1A (0.46) SLC6A4DRD2MTNR1A
Hydrochloric Acid SCHEMBL1673605 0.77 SLC6A2 (0.43) SLC6A4HTR6HTR2CHTR1ASLC6A2
SCHEMBL22860683 0.75 SLC6A4 (0.45) SLC6A4DRD2HTR6HTR2CHTR1A
SCHEMBL7870932 0.75 HTR6 (0.42) SLC6A4DRD2HTR6MTNR1A
SCHEMBL13201190 0.75 HTR2C (0.49) SLC6A4HTR6HTR2CHTR1ASLC6A2
SCHEMBL4676658 0.74 SLC6A4 (0.55) SLC6A4DRD2HTR6HTR2CHTR1A
SCHEMBL29868908 0.74 SLC6A4 (0.55) SLC6A4DRD2HTR6HTR2CHTR1A

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