SCHEMBL24928591

SCHEMBL24928591

OC1CCc2nc[nH]c2C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.54
ADRA1D P25100 1/20 0.46
HTR3A P46098 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ACHE P22303 2/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.30
AKT1 P31749 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
SCHEMBL22628861 0.77 ADRA1A (0.54) ADRA1AADRA1DHTR3AADRA2AADRA2B
Hydrochloric Acid SCHEMBL3452953 0.76 ADRA1A (0.53) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL6851022 0.75 ADRA1A (0.53) ADRA1AADRA1DHTR3AADRA2AADRA2B
Hydrochloric Acid SCHEMBL6852908 0.74 ADRA1A (0.51) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL7332682 0.74 HTR3A (0.50) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL12384814 0.73 ADRA1A (0.50) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL13109150 0.73 ADRA1A (0.50) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL4417884 0.73 ADRA1A (0.50) ADRA1AADRA1DHTR3AADRA2AADRA2B
Hydrochloric Acid SCHEMBL9049065 0.73 HTR3A (0.49) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL6850934 0.72 HTR3A (0.48) ADRA1AADRA1DHTR3AADRA2AADRA2B

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
WO-2023009585-A2 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2023-02-02 WO disclosed
WO-2023009585-A2 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2023-02-02 WO disclosed