SCHEMBL30249003

SCHEMBL30249003

CCCCOC(=O)CCCCC(=O)OCOc1cccc2[nH]cc(CCN(C)C)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.61
HTR6 P50406 2/20 0.55
HTR1A P08908 7/20 0.54
HTR2C P28335 4/20 0.54
HTR2B P41595 4/20 0.54
HTR1B P28222 4/20 0.51
HTR1D P28221 3/20 0.51
DRD1 P21728 1/20 0.51
HTR1E P28566 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
HTR7 P34969 1/20 0.51
DRD3 P35462 1/20 0.51
HTR5A P47898 1/20 0.51
HTR1F P30939 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL26307634 0.94 HTR2A (0.63) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL26307748 0.91 HTR6 (0.56) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL26307653 0.90 HTR6 (0.61) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL31666427 0.90 HTR6 (0.61) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL25074645 0.88 HTR6 (0.64) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL26307656 0.88 HTR6 (0.64) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL25074624 0.86 HTR2A (0.61) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL25074527 0.86 HTR6 (0.55) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL25074644 0.86 HTR6 (0.62) HTR2AHTR6HTR1AHTR2CHTR2B
SCHEMBL12596305 0.85 HTR6 (0.70) HTR2AHTR6HTR1AHTR2CHTR2B

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
EP-4387608-A1 PRODRUGS AND DERIVATIVES OF PSILOCIN AND USES THEREOF Terran Biosciences, Inc. (US) 2024-06-26 EP disclosed
WO-2023023347-A1 PRODRUGS AND DERIVATIVES OF PSILOCIN AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-02-23 WO disclosed