SCHEMBL8082652

SCHEMBL8082652

CN1CCN(c2c([Sn](C)(C)C)ccc3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.48
HTR3A P46098 6/20 0.45
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
THPO P40225 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL6001737 0.79 HRH4 (0.51) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL8693928 0.78 HRH4 (0.50) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5167342 0.78 HTR3A (0.53) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5167771 0.72 SIRT6 (0.52) HRH4ALDH1A1
SCHEMBL6002177 0.69 HTR1A (0.62) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL27359418 0.68 HTR1A (0.61) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL8692605 0.68 HRH4 (0.50) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL6305872 0.67 HTR1A (0.59) HTR3A
SCHEMBL605232 0.65 HRH4 (1.00) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL17144774 0.65 NCF1 (0.56) HRH4HTR3AHTR3EHTR3BHTR3D

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
EP-0701819-B1 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER (US) 2000-08-16 EP disclosed