SCHEMBL30183000

SCHEMBL30183000

COC(c1ccc(C)cc1)C(N)(OC)OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.34
MLKL Q8NB16 1/20 0.34
ACHE P22303 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALOX5 P09917 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12791347 0.77 CHRNA7 (0.38) CHRNA7MLKLACHETDP1ALDH1A1
SCHEMBL12792015 0.77 CHRNA7 (0.38) CHRNA7MLKLACHETDP1ALDH1A1
SCHEMBL12282035 0.75 CHRNA7 (0.37) CHRNA7MLKLACHETDP1TSHR
SCHEMBL11125030 0.71 ALDH1A1 (0.38) CHRNA7MLKLACHETDP1ALDH1A1
SCHEMBL11021620 0.67 CHRNA7 (0.46) CHRNA7MLKLACHETDP1ALOX5
SCHEMBL3203986 0.67 ALDH1A1 (0.31) TDP1ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL791847 0.66 MLKL (0.49) CHRNA7MLKLACHETDP1ALDH1A1
SCHEMBL2431139 0.66 ACHE (0.44) CHRNA7MLKLACHETDP1ALDH1A1
SCHEMBL14615251 0.64 CHRNA7 (0.42) CHRNA7MLKLACHETDP1ALOX5
SCHEMBL7615009 0.64 CHRNA7 (0.42) CHRNA7MLKLACHETDP1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720030-A1 ASYMMETRIC PHENYLALKYLAMINES Alexander Shulgin Research Institute, Inc. (US) 2026-04-08 EP disclosed
EP-4673430-A2 PHENYLALKYLAMINE PRODRUGS Alexander Shulgin Research Institute, Inc. (US) 2026-01-07 EP disclosed
EP-4618981-A1 COMBINATIONS OF MONOAMINE OXIDASE INHIBITORS AND SEROTONIN RECEPTOR AGONISTS AND THEIR THERAPEUTIC USE Remedi, Inc. (US) 2025-09-24 EP disclosed
EP-4543833-A1 N-SUBSTITUTED PHENYLALKYLAMINES AND THEIR USE AS THERAPEUTIC AGENTS Alexander Shulgin Research Institute, Inc. (US) 2025-04-30 EP disclosed
WO-2024243599-A1 ASYMMETRIC PHENYLALKYLAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2024-11-28 WO disclosed
WO-2024182807-A2 PHENYLALKYLAMINE PRODRUGS ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2024-09-06 WO disclosed
EP-4405318-A1 SUBSTITUTED PHENYLALKYLAMINES Alexander Shulgin Research Institute, Inc. (US) 2024-07-31 EP disclosed
WO-2024108195-A1 COMBINATIONS OF MONOAMINE OXIDASE INHIBITORS AND SEROTONIN RECEPTOR AGONISTS AND THEIR THERAPEUTIC USE REMEDI, INC. (US) 2024-05-23 WO disclosed
WO-2024091523-A1 CONFORMATIONALLY RESTRICTED PHENETHYLAMINE ANALOGS 2A BIOSCIENCES, INC. (US) 2024-05-02 WO disclosed
WO-2024006226-A1 N-SUBSTITUTED PHENYLALKYLAMINES AND THEIR USE AS THERAPEUTIC AGENTS ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2024-01-04 WO disclosed
WO-2023049480-A1 SUBSTITUTED PHENYLALKYLAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE (US) 2023-03-30 WO disclosed
WO-2023283386-A2 SAFER PSYCHOACTIVE COMPOSITIONS ARCADIA MEDICINE, INC. (US) 2023-01-12 WO disclosed