SCHEMBL31166232

SCHEMBL31166232

CC(Cc1ccc(I)cc1)N(C)C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.60
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
APEX1 P27695 1/20 0.50
PMP22 Q01453 1/20 0.50
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRK1 P41145 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAOB P27338 4/20 0.42
SIGMAR1 Q99720 4/20 0.40
PYCR1 P32322 1/20 0.40
MAOA P21397 2/20 0.40
ADRA2A P08913 1/20 0.38
SNCA P37840 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
SCHEMBL15701879 1.00 SLC6A4 (0.60) SLC6A4CYP1A2CYP2D6APEX1PMP22
SCHEMBL15701949 0.83 SLC6A4 (0.60) SLC6A4CYP1A2CYP2D6ADRA2BADRA2C
SCHEMBL15702022 0.80 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6ADRA2BADRA2C
SCHEMBL21203235 0.80 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6ADRA2BADRA2C
SCHEMBL25229633 0.78 SLC6A4 (0.60) SLC6A4CYP1A2CYP2D6ADRA2BADRA2C
SCHEMBL10559143 0.78 MAOB (0.61) SLC6A4ADRA2BADRA2CADRA1AOPRK1
SCHEMBL14828722 0.78 SLC6A4 (0.60) SLC6A4ADRA2BADRA2CADRA1AOPRK1
SCHEMBL24251170 0.78 SLC6A4 (0.60) SLC6A4CYP1A2CYP2D6ADRA2BADRA2C
SCHEMBL8411707 0.78 SLC6A4 (0.60) SLC6A4OPRK1SLC6A2
SCHEMBL7637084 0.78 CYP1A2 (0.47) SLC6A4CYP1A2CYP2D6APEX1PMP22

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-4720030-A1 ASYMMETRIC PHENYLALKYLAMINES Alexander Shulgin Research Institute, Inc. (US) 2026-04-08 EP disclosed
WO-2024243599-A1 ASYMMETRIC PHENYLALKYLAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2024-11-28 WO disclosed