SCHEMBL4527610

SCHEMBL4527610

CCC(=NOC)C1=C(c2ccc(Cl)c(Cl)c2)CC2CC[C@@H]1C2

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.64
SLC6A4 P31645 9/20 0.64

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
SCHEMBL4513716 1.00 SLC6A3 (0.64) SLC6A3SLC6A4
SCHEMBL4513719 1.00 SLC6A3 (0.64) SLC6A3SLC6A4
SCHEMBL4150465 0.84 SLC6A3 (0.47) SLC6A3SLC6A4
SCHEMBL4154123 0.84 SLC6A3 (0.47) SLC6A3SLC6A4
SCHEMBL4150466 0.84 SLC6A3 (0.47) SLC6A3SLC6A4
SCHEMBL4137508 0.83 SLC6A3 (0.64) SLC6A3SLC6A4
SCHEMBL4140307 0.83 SLC6A3 (0.64) SLC6A3SLC6A4
SCHEMBL4132838 0.83 SLC6A3 (0.61) SLC6A3SLC6A4
SCHEMBL4132515 0.83 SLC6A3 (0.61) SLC6A3SLC6A4
SCHEMBL4132518 0.83 SLC6A3 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476740-B2 Monoamine transporter inhibitors; used for early diagnosis and treatment of neurological and psychiatric conditions PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-01-13 US disclosed