SCHEMBL6415939

SCHEMBL6415939

COC(=O)[C@@H]1C2NC(CC2O)C[C@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.67
SLC6A4 P31645 12/20 0.67
CHRNA1 P02708 1/20 0.55
CHRNG P07510 1/20 0.55
ITGA5 P08648 1/20 0.55
CHRNB1 P11230 1/20 0.55
CHRNB2 P17787 1/20 0.55
SLC6A2 P23975 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
CHRND Q07001 1/20 0.55

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
SCHEMBL6415945 1.00 SLC6A3 (0.67) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7038162 1.00 SLC6A3 (0.67) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL6358433 0.87 SLC6A3 (0.65) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL6356628 0.87 SLC6A3 (0.65) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL7033330 0.87 SLC6A3 (0.65) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL6356631 0.87 SLC6A3 (0.65) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL4132405 0.84 SLC6A3 (0.49) SLC6A3SLC6A4
SCHEMBL4132407 0.84 SLC6A3 (0.49) SLC6A3SLC6A4
SCHEMBL4133259 0.84 SLC6A3 (0.49) SLC6A3SLC6A4
SCHEMBL4139225 0.84 SLC6A3 (0.49) SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670375-B2 Particularly, 8-aza-, 8-carbo- and 8-oxo- tropanes having 6-or 7-substituents; preferred are the dopamine transporter, the serotonin transporter and the norepinephrine transporter. ORGANIX, INC. 2003-12-30 US claimed
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
EP-0996619-A1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX, INC. (US) 2000-05-03 EP disclosed
WO-1999002526-A1 TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT ORGANIX, INC. (US) 1999-01-21 WO disclosed