SCHEMBL31027232

SCHEMBL31027232

CC(C)NC(=O)C(=O)c1c[nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.48
SRD5A2 P31213 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42

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
SCHEMBL23805228 0.88 HTR2A (0.51) HTR2ASRD5A2GABRPGABRDGABRA1
SCHEMBL29138513 0.84 HTR2A (0.52) HTR2ASRD5A2GABRPGABRDGABRA1
SCHEMBL31614675 0.84 NPC1 (0.50) HTR2AGABRPGABRDGABRA1GABRB1
SCHEMBL23805257 0.83 GABRP (0.46) HTR2ASRD5A2GABRPGABRDGABRA1
SCHEMBL30960130 0.83 HTR2A (0.52) HTR2ASRD5A2
SCHEMBL23805289 0.83 HTR2A (0.51) HTR2ASRD5A2IGF1RMETSRC
SCHEMBL11067101 0.81 HTR2A (0.53) HTR2ASRD5A2
SCHEMBL7390324 0.81 HTR2A (0.55) HTR2ASRD5A2
SCHEMBL12558840 0.81 HTR2A (0.57) HTR2ASRD5A2GABRPGABRDGABRA1
SCHEMBL23805219 0.81 GABRP (0.46) HTR2ASRD5A2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178051-A2 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2024-08-29 WO claimed
WO-2024178051-A3 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2024-10-17 WO disclosed
WO-2024178051-A2 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2024-08-29 WO disclosed
WO-2024178051-A2 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2024-08-29 WO disclosed
WO-2024159007-A2 4-HYDROXY-N-ISOPROPYLTRYPTAMINE CAAMTECH, INC. (US) 2024-08-02 WO disclosed