Ifoxetine

Ifoxetine

SCHEMBL11235528

Cc1cccc(OC2CCNCC2O)c1C.O=C(O)C=CC(=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Ifoxetine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 4/20 0.43
SLC6A2 known ✓ P23975 5/20 0.38
SLC6A4 known ✓ P31645 4/20 0.38
SLC6A3 known ✓ Q01959 3/20 0.38
HTR1A known ✓ P08908 1/20 0.37
HTR2C known ✓ P28335 2/20 0.35
MEN1 known ✓ O00255 1/20 0.35
KMT2A known ✓ Q03164 1/20 0.35
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSC P53634 2/20 0.38
CTSF Q9UBX1 2/20 0.38
CTSH P09668 1/20 0.38
HTR6 P50406 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 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
Ifoxetine SCHEMBL11235529 1.00 HRH1 (0.43) HRH1CTSVCTSLCTSBCTSS
Ifoxetine SCHEMBL11235520 1.00 HRH1 (0.43) HRH1CTSVCTSLCTSBCTSS
Ifoxetine SCHEMBL119624 0.90 SLC6A2 (0.42) CTSVCTSLCTSBCTSSCTSK
Ifoxetine SCHEMBL3961263 0.90 SLC6A2 (0.42) CTSVCTSLCTSBCTSSCTSK
Ifoxetine SCHEMBL5782634 0.90 SLC6A2 (0.42) CTSVCTSLCTSBCTSSCTSK
Ifoxetine SCHEMBL3961271 0.90 SLC6A2 (0.42) CTSVCTSLCTSBCTSSCTSK
Ifoxetine SCHEMBL3959131 0.90 SLC6A2 (0.42) CTSVCTSLCTSBCTSSCTSK
Ifoxetine SCHEMBL13918626 0.90 SLC6A2 (0.42) CTSVCTSLCTSBCTSSCTSK
Ifoxetine SCHEMBL3959125 0.90 SLC6A2 (0.42) CTSVCTSLCTSBCTSSCTSK
Ifoxetine SCHEMBL13918625 0.90 SLC6A2 (0.42) CTSVCTSLCTSBCTSSCTSK

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
US-4320137-A Derivatives of perhydro-aza-heterocycles CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4246269-A Antidepressant piperidinones CIBA-GEIGY CORPORATION (US) 1981-01-20 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed