SCHEMBL4512207

SCHEMBL4512207

CCC(=NOC)C1=C(c2ccc(I)cc2)CC2CCC1O2

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.62
SLC6A4 P31645 9/20 0.62

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
SCHEMBL4512203 1.00 SLC6A3 (0.62) SLC6A3SLC6A4
SCHEMBL4528566 1.00 SLC6A3 (0.62) SLC6A3SLC6A4
SCHEMBL4519770 0.88 SLC6A3 (0.62) SLC6A3SLC6A4
SCHEMBL4523954 0.88 SLC6A3 (0.62) SLC6A3SLC6A4
SCHEMBL4519771 0.88 SLC6A3 (0.62) SLC6A3SLC6A4
SCHEMBL4519692 0.83 SLC6A3 (0.64) SLC6A3SLC6A4
SCHEMBL4519695 0.83 SLC6A3 (0.64) SLC6A3SLC6A4
SCHEMBL4528859 0.83 SLC6A3 (0.64) SLC6A3SLC6A4
SCHEMBL4513786 0.82 SLC6A3 (0.65) SLC6A3SLC6A4
SCHEMBL4519482 0.80 SLC6A3 (0.41) 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