SCHEMBL24693229

SCHEMBL24693229

CCCC(C)N1CCC(NC)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.34
CACNA2D1 P54289 1/20 0.33
UBE2M P61081 3/20 0.33
DCUN1D1 Q96GG9 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL12568615 0.87 HRH4 (0.35) HRH4HRH3
SCHEMBL9927933 0.87 HRH4 (0.35) HRH4HRH3
SCHEMBL2737372 0.78 HRH3 (0.39) HRH4HRH3
SCHEMBL13995044 0.78 HRH3 (0.39) HRH4HRH3
SCHEMBL2738327 0.78 HRH3 (0.39) HRH4HRH3
SCHEMBL12568608 0.77 HRH4 (0.36) HRH4HRH3
SCHEMBL24147495 0.77 CACNA2D1 (0.37) HRH4CACNA2D1HRH3
SCHEMBL10197112 0.77 HRH4 (0.36) HRH4HRH3
SCHEMBL14748101 0.76 DRD2 (0.40) HRH4HRH3
SCHEMBL21214494 0.75 HRH3 (0.39) HRH4CACNA2D1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022256554-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME UNIVERSITY OF THE SCIENCES (US) 2022-12-08 WO disclosed