SCHEMBL6357044

SCHEMBL6357044

COCOC1CC2C[C@@H](c3ccccc3F)[C@H](C(=O)OC)C1N2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
ITGA5 P08648 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRND Q07001 1/20 0.37

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
SCHEMBL7129040 1.00 SLC6A3 (0.38) SLC6A3HTR3EHTR3BHTR3AHTR3D
SCHEMBL8171321 1.00 SLC6A3 (0.38) SLC6A3HTR3EHTR3BHTR3AHTR3D
SCHEMBL7036436 1.00 SLC6A3 (0.38) SLC6A3HTR3EHTR3BHTR3AHTR3D
SCHEMBL6359164 1.00 SLC6A3 (0.38) SLC6A3HTR3EHTR3BHTR3AHTR3D
SCHEMBL6363469 0.88 SLC6A3 (0.41) SLC6A3HTR3EHTR3BHTR3AHTR3D
SCHEMBL6358601 0.88 SLC6A3 (0.41) SLC6A3HTR3EHTR3BHTR3AHTR3D
SCHEMBL7039764 0.88 SLC6A3 (0.41) SLC6A3HTR3EHTR3BHTR3AHTR3D
SCHEMBL6359667 0.88 SLC6A3 (0.41) SLC6A3HTR3EHTR3BHTR3AHTR3D
SCHEMBL6357046 0.83 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4
SCHEMBL7122230 0.83 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493744-A1 Tropane analogs and methods for inhibition of monoamine transport ORGANIX, INC. (US) 2005-01-05 EP disclosed
EP-0996619-B1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX INC (US) 2005-01-05 EP disclosed