SCHEMBL30404266

SCHEMBL30404266

COc1cc2ccn(CC(C)(C)N(C)C)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HCRTR2 O43614 2/20 0.35
ACSS2 Q9NR19 1/20 0.35
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
GRM2 Q14416 2/20 0.34
NR3C1 P04150 1/20 0.34
KDM4E B2RXH2 1/20 0.32
PIK3CB P42338 1/20 0.31
TTBK1 Q5TCY1 2/20 0.30
TTBK2 Q6IQ55 2/20 0.30
MAP3K14 Q99558 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL24110229 1.00 MAPT (0.42) MAPTHCRTR2ACSS2HTR2CHTR2A
SCHEMBL25818045 0.82 CYP1A2 (0.34) HTR2CHTR2AGRM2PIK3CB
SCHEMBL29904420 0.78 HTR2C (0.57) MAPTHCRTR2HTR2CHTR2A
SCHEMBL24109810 0.78 HTR2C (0.57) MAPTHCRTR2HTR2CHTR2A
SCHEMBL29904400 0.78 HTR2C (0.54) MAPTHTR2CHTR2AGRM2KDM4E
SCHEMBL24110335 0.78 HTR2C (0.40) HTR2CHTR2ANR3C1
SCHEMBL24109924 0.78 HTR2C (0.54) MAPTHTR2CHTR2AGRM2KDM4E
SCHEMBL24109932 0.77 USP19 (0.32) NR3C1
SCHEMBL25296144 0.76 HTR2C (0.43) MAPTHCRTR2ACSS2HTR2CHTR2A
SCHEMBL24109986 0.76 HTR2C (0.43) MAPTHCRTR2ACSS2HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4165049-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2023-04-19 EP disclosed