SCHEMBL8293116

SCHEMBL8293116

O=C(NC1CCN2CCCC1C2)c1cc(I)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.51
HTR3B O95264 3/20 0.51
HTR3A P46098 3/20 0.51
HTR3D Q70Z44 3/20 0.51
HTR3C Q8WXA8 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL7441918 0.75 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7118324 0.72 NPC1 (0.51)
SCHEMBL7361204 0.72 HTR3A (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7276197 0.71 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7279707 0.71 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9646418 0.71 HTR3A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5055931 0.71 CHRNA7 (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7279745 0.69 HTR3A (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1649473 0.68 HTR3A (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
Renzapride SCHEMBL678616 0.68 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C

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-2005023808-A2 PROCESS FOR THE PREPARATION OF RENZAPRIDE AND INTERMEDIATES THEREOF ALIZYME THERAPEUTICS LIMITED (GB) 2005-03-17 WO disclosed