SCHEMBL23729441

SCHEMBL23729441

CC(C)CCOCCCC(=O)N1CCN(CCCCCOI)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.38
▸ HTR7 P34969 6/20 0.38
▸ DRD2 P14416 4/20 0.36
▸ HRH2 P25021 4/20 0.34
▸ HRH1 P35367 4/20 0.34
▸ PAOX Q6QHF9 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ CACNA1F O60840 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD5 P21918 2/20 0.34
▸ ADRA1D P25100 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ CACNA1D Q01668 2/20 0.34

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
SCHEMBL26700936 0.88 HTR1A (0.38) HTR1AHTR7DRD2HRH2HRH1
SCHEMBL23729305 0.86 HRH2 (0.46) HTR1AHTR7HRH2HRH1
SCHEMBL23729306 0.85 HTR7 (0.39) HTR1AHTR7HRH2HRH1SIGMAR1
SCHEMBL26700934 0.83 HRH2 (0.40) HTR1AHTR7DRD2HRH2HRH1
SCHEMBL26700879 0.81 ALDH1A1 (0.37) HTR1AHTR7HRH2HRH1SIGMAR1
SCHEMBL26700958 0.79 HTR7 (0.34) HTR1AHTR7HRH2HRH1SIGMAR1
SCHEMBL26700931 0.79 DRD2 (0.41) DRD2DRD3NPC1
SCHEMBL23729302 0.78 GNAI3 (0.46) HTR7DRD2PAOXDRD3NPC1
SCHEMBL23729789 0.77 ALDH1A1 (0.40) SIGMAR1CACNA1CNPC1
SCHEMBL26700788 0.76 ALDH1A1 (0.39) SIGMAR1CACNA1CNPC1

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-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 — — WO disclosed
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