SCHEMBL4514783

SCHEMBL4514783

CCC(=NOC)C1=C(c2ccc(I)cc2)CC2CC[C@H]1N2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 2/20 0.32

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
SCHEMBL4514788 1.00 SLC6A3 (0.36) SLC6A3SLC6A4SLC6A2
SCHEMBL4516957 1.00 SLC6A3 (0.36) SLC6A3SLC6A4SLC6A2
SCHEMBL4514640 0.88 SLC6A3 (0.36) SLC6A3SLC6A4SLC6A2
SCHEMBL4524658 0.88 SLC6A3 (0.36) SLC6A3SLC6A4SLC6A2
SCHEMBL4520962 0.83 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2
SCHEMBL4528766 0.83 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2
SCHEMBL4520965 0.83 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2
SCHEMBL4509450 0.82 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2
SCHEMBL4512323 0.82 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2
SCHEMBL4509456 0.82 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2

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