SCHEMBL31742680

SCHEMBL31742680

C[N+](C)(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 8/20 0.70
▸ HTR2C P28335 5/20 0.70
▸ HTR2B P41595 4/20 0.70
▸ HTR1A P08908 3/20 0.70
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ HTR6 P50406 2/20 0.45
▸ SCN5A Q14524 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ INPPL1 O15357 1/20 0.39
▸ INPP5B P32019 1/20 0.39
▸ INPP5A Q14642 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR1E P28566 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL25541553 1.00 HTR2A (0.70) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL20970923 0.90 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL25459146 0.90 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL29633100 0.90 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL20898335 0.85 HTR2A (0.61) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL31066854 0.84 HTR2A (0.60) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL29633115 0.84 HTR2A (0.72) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL20450791 0.84 HTR2A (0.72) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL15732778 0.83 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL29629305 0.83 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1AMTNR1A

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
US-12503713-B1 Stabilization of tryptamines by denaturing enzymes, optimizing ionization states, and controlling confounding variables Convergent Health Sciences LLC (US) 2025-12-23 — — US disclosed
US-12497637-B1 Stabilization of tryptamines by denaturing enzymes, optimizing ionization states, and controlling confounding variables Convergent Health Sciences LLC (US) 2025-12-16 — — US disclosed
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