SCHEMBL7357586

SCHEMBL7357586

CCCC[Sn](CCCC)(CCCC)c1cc(OC)c(OC)c(C(=O)NC2CN3CCC2CC3)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR5A P47898 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.51
CHRNA7 P36544 2/20 0.46

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
SCHEMBL7362425 0.83 HTR3A (0.51) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL7356927 0.80 HTR3A (0.59) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL7356918 0.80 HTR3A (0.59) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL14999537 0.78 UGCG (0.52) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL8961614 0.76 DRD3 (0.68)
SCHEMBL2229644 0.75 HTR3A (0.73) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL2229649 0.75 HTR3A (0.73) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL27678961 0.72 DRD2 (0.70)
SCHEMBL2231269 0.72 HTR3A (0.65) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL2231273 0.72 HTR3A (0.65) HTR3AHTR3EHTR3BHTR5AHTR3D

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
US-5723103-A ALTERED 5-HT-3 OR NEUROTRANSMITTER RECEPTOR FUNCTION VANDERBILT UNIVERSITY (US) 1998-03-03 US disclosed
WO-1996017630-A9 SUBSTITUTED BENZAMIDES AND RADIOLIGAND ANALOGS AND METHODS OF USE 1996-08-08 WO disclosed
WO-1996017630-A1 SUBSTITUTED BENZAMIDES AND RADIOLIGAND ANALOGS AND METHODS OF USE VANDERBILT UNIVERSITY (US) 1996-06-13 WO disclosed