SCHEMBL7704043

SCHEMBL7704043

COc1ccc(C(C)C2(O)CCCCC2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.45
SLC6A3 Q01959 10/20 0.45
SLC6A2 P23975 7/20 0.45
LMNA P02545 1/20 0.45
CNR1 P21554 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL30523218 0.84 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL9023079 0.78 L3MBTL1 (0.38) LMNA
SCHEMBL639268 0.74 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL27651524 0.74 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2MAOBMAOA
SCHEMBL11836977 0.70 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL11837340 0.70 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2LMNACNR1
Hydrochloric Acid SCHEMBL11835693 0.69 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL30523217 0.69 SLC6A4 (0.37) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL11834256 0.69 GAA (0.39) SLC6A4SLC6A3LMNAALDH1A1MEN1
SCHEMBL6457544 0.69 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2LMNACNR1

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
EP-1165487-A1 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME Sepracor Inc. (US) 2002-01-02 EP disclosed
WO-2000059851-A1 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-10-12 WO disclosed