SCHEMBL8038690

SCHEMBL8038690

COc1ccc([C@@H](N)CC2(O)CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.51
SLC6A3 Q01959 8/20 0.51
SLC6A2 P23975 7/20 0.51
LMNA P02545 1/20 0.51
CNR1 P21554 1/20 0.51
HTR2A P28223 1/20 0.51
HRH1 P35367 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.41
AOC3 Q16853 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
ESR2 Q92731 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39

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
SCHEMBL3347205 1.00 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2LMNACNR1
Hydrochloric Acid SCHEMBL3930855 0.98 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2LMNACNR1
Acetic Acid SCHEMBL5795551 0.93 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL3709825 0.85 NQO1 (0.40) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL6328367 0.83 SLC6A2 (0.51) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL4618228 0.81 SLC6A2 (0.45) SLC6A4SLC6A3SLC6A2LMNACYP1A2
SCHEMBL4625904 0.80 MME (0.36) SLC6A4SLC6A3SLC6A2HTR2A
SCHEMBL4967524 0.79 SLC6A2 (0.56) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL8040630 0.79 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL8038699 0.79 SLC6A4 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044760-A1 DENDRIMER CONJUGATES OF ANTIDEPRESSANT AND ANTIPSYCHOTIC AGENTS AND THEIR METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2024-02-29 WO disclosed
WO-2024044756-A1 DENDRIMER COMPOSITIONS FOR TARGETED DELIVERY OF PSYCHEDELIC THERAPEUTICS THE JOHNS HOPKINS UNIVERSITY (US) 2024-02-29 WO disclosed
WO-2000076956-A2 ENANTIOMERS OF N-DESMETHYL VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-21 WO disclosed