SCHEMBL24693252

SCHEMBL24693252

CCCN(CCC)CCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.90
MPO P05164 9/20 0.82
HTR1D P28221 4/20 0.71
SLC6A4 P31645 3/20 0.67
HTR1A P08908 3/20 0.67
HTR1B P28222 2/20 0.67
ADRA2A P08913 1/20 0.67
DRD2 P14416 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
SLC6A2 P23975 1/20 0.67
HTR2C P28335 1/20 0.67
HTR1E P28566 1/20 0.67
HTR7 P34969 1/20 0.67
ADRA1A P35348 1/20 0.67
HRH1 P35367 1/20 0.67
DRD3 P35462 1/20 0.67
OPRK1 P41145 1/20 0.67
HTR2B P41595 1/20 0.67
HTR5A P47898 1/20 0.67

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
SCHEMBL30053751 1.00 HTR2A (0.90) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL24694055 0.95 HTR2A (0.81) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL24243711 0.94 HTR2A (1.00) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL30054225 0.94 HTR2A (1.00) HTR2AMPOHTR1DSLC6A4HTR1A
Hydrochloric Acid SCHEMBL29765862 0.93 HTR2A (1.00) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL29206531 0.90 HTR2A (0.82) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL30916160 0.90 MPO (1.00) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL24692678 0.89 HTR2A (0.84) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL29206551 0.88 HTR2A (0.78) HTR2AMPOHTR1DSLC6A4HTR1A
SCHEMBL2405100 0.88 HTR2A (0.74) HTR2AMPOHTR1DSLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957211-A Fluorinated tryptamine compounds, analogs thereof, and methods of use thereof 圣约瑟夫大学 2024-04-30 CN claimed
CN-117957211-A Fluorinated tryptamine compounds, analogs thereof, and methods of use thereof 圣约瑟夫大学 2024-04-30 CN disclosed
WO-2022256554-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME UNIVERSITY OF THE SCIENCES (US) 2022-12-08 WO disclosed