SCHEMBL30163449

SCHEMBL30163449

CNCC[C@@H](Oc1cccc(C)c1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.75
SLC6A2 P23975 5/20 0.60
CYP2D6 P10635 5/20 0.59
CYP1A2 P05177 4/20 0.59
CYP3A4 P08684 4/20 0.59
CHRM1 P11229 3/20 0.59
TSHR P16473 3/20 0.59
ADRA2B P18089 3/20 0.59
HTR2A P28223 3/20 0.59
HTR2C P28335 3/20 0.59
HRH1 P35367 3/20 0.59
OPRM1 P35372 3/20 0.59
OPRK1 P41145 3/20 0.59
HTR2B P41595 3/20 0.59
SLC6A3 Q01959 3/20 0.59
KCNH2 Q12809 3/20 0.59
HRH3 Q9Y5N1 3/20 0.59
LMNA P02545 3/20 0.59
KMT2A Q03164 3/20 0.59
DRD3 P35462 2/20 0.59

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
SCHEMBL31733949 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL5014117 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL1200912 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL1200769 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL17685573 0.99 SLC6A4 (0.73) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4941955 0.99 SLC6A4 (0.73) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL8197696 0.86 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL5011928 0.86 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL7053900 0.86 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4941345 0.85 SLC6A4 (0.97) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115561358-B Method for detecting impurity B and impurity C in tomoxetine hydrochloride 广西维威制药有限公司 2025-05-13 CN disclosed
CN-115561358-A Method for detecting impurity B and impurity C in tomoxetine hydrochloride 广西维威制药有限公司 2023-01-03 CN disclosed