SCHEMBL3681409

SCHEMBL3681409

CC(Cc1ccccc1)NC1OCCO1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.52
TAAR1 Q96RJ0 3/20 0.52
SLC18A2 Q05940 1/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL33991 0.90 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2MEN1KMT2A
Hydrochloric Acid SCHEMBL5653344 0.88 SIGMAR1 (0.50) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL497585 0.74 SIGMAR1 (0.46) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL20061130 0.74 SIGMAR1 (0.56) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL20061148 0.74 SIGMAR1 (0.56) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL28281562 0.72 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL27740328 0.71 SLC6A4 (0.54) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL17479478 0.71 SIGMAR1 (0.50) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL30624762 0.71 SIGMAR1 (0.71) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL21243273 0.71 SIGMAR1 (0.73) SIGMAR1TAAR1SLC18A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396305-A1 SYNTHESIS OF MDMA OR ITS OPTICALLY ACTIVE (R)- OR (S)-MDMA ISOMERS Empathibio, Inc. (US) 2024-07-10 EP disclosed
WO-2023081899-A1 ISOTOPICALLY ENRICHED N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE (MBDB) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES, INC. (US) 2023-05-11 WO disclosed
WO-2023034510-A1 SYNTHESIS OF MDMA OR ITS OPTICALLY ACTIVE ( R)- OR ( S)-MDMA ISOMERS ATAI Life Sciences AG (DE) 2023-03-09 WO disclosed
EP-2053919-B1 METHOD OF REDUCING NEURONAL CELL DAMAGE UNIV MONTANA (US) 2013-12-25 EP disclosed
US-20100249242-A1 METHOD OF REDUCING NEURONAL CELL DAMAGE THE UNIVERSITY OF MONTANA 2010-09-30 US disclosed
EP-2053919-A2 METHOD OF REDUCING NEURONAL CELL DAMAGE THE UNIVERSITY OF MONTANA (US) 2009-05-06 EP disclosed
WO-2008024660-A2 METHOD OF REDUCING NEURONAL CELL DAMAGE THE UNIVERSITY OF MONTANA (US) 2008-02-28 WO disclosed