SCHEMBL9326993

SCHEMBL9326993

CNCCC(Sc1ccccc1C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.51
HRH1 P35367 4/20 0.51
SLC6A4 P31645 13/20 0.49
SLC6A2 P23975 8/20 0.49
CYP2D6 P10635 5/20 0.49
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 4/20 0.49
TSHR P16473 3/20 0.49
SLC6A3 Q01959 3/20 0.49
KCNH2 Q12809 3/20 0.49
CHRM1 P11229 2/20 0.49
ADRA2B P18089 2/20 0.49
HTR2C P28335 2/20 0.49
OPRM1 P35372 2/20 0.49
DRD3 P35462 2/20 0.49
OPRK1 P41145 2/20 0.49
HTR2B P41595 2/20 0.49
KLF10 Q13118 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL7006501 1.00 HTR2A (0.51) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL6497248 0.85 HTR2A (0.46) HTR2AHRH1SLC6A4SLC6A2CYP2D6
Hydrochloric Acid SCHEMBL6497392 0.84 HTR2A (0.45) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL9327063 0.81 SLC6A4 (0.56) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL6497290 0.76 NOS2 (0.54) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL13717320 0.74 HTR2A (0.50) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL6498483 0.72 SLC6A4 (0.54) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL6494143 0.71 SLC6A4 (0.72) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL10439837 0.71 SLC6A4 (0.56) HTR2AHRH1SLC6A4SLC6A2CYP2D6
Hydrochloric Acid SCHEMBL6496956 0.70 SLC6A4 (0.71) HTR2AHRH1SLC6A4SLC6A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373836-B1 Improvements in or relating to serotonin and norepinephrine uptake inhibitors LILLY CO ELI (US) 1994-03-16 EP claimed
JP-2218661-A None JP disclosed
JP-H02218661-A IMPROVED SEROTONIN AND NOREPINEPHIRINE TAKING-IN INHIBITOR ELI LILLY & CO 1990-08-31 JP disclosed