SCHEMBL29957688

SCHEMBL29957688

OB(O)c1c[nH]c2cc3c(cc12)OCO3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1E P28566 1/20 0.51
HTR1F P30939 1/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51
HTR3A P46098 1/20 0.51
HTR5A P47898 1/20 0.51
HTR6 P50406 1/20 0.51
HTR4 Q13639 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3179154 1.00 HTR3E (0.51) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL18962466 0.77 HTR1D (0.55) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL29162324 0.73 HTR3E (0.51) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL2885649 0.72 HTR3E (0.48) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL980263 0.69 HTR3E (0.48) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL3197588 0.68 MTNR1A (0.46) HTR1AHTR2BALDH1A1MAPTNPSR1
SCHEMBL25359518 0.68 HTR1D (0.54) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL20970981 0.68 HTR1D (1.00) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL1973248 0.68 HTR3E (0.54) HTR3EHTR3BHTR1AHTR1DHTR1B
SCHEMBL9319102 0.68 SMN1; SMN2 (0.60) HTR3EHTR3BHTR1AHTR1DHTR1B

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed