SCHEMBL4510056

SCHEMBL4510056

CCC(=NOC)C1=C(c2ccc3ccccc3c2)CC2CC[C@@H]1N2C

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.66
SLC6A3 Q01959 11/20 0.66

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
SCHEMBL4510060 1.00 SLC6A4 (0.66) SLC6A4SLC6A3
SCHEMBL4521957 1.00 SLC6A4 (0.66) SLC6A4SLC6A3
SCHEMBL4511981 0.84 SLC6A3 (0.65) SLC6A4SLC6A3
SCHEMBL4515100 0.84 SLC6A3 (0.65) SLC6A4SLC6A3
SCHEMBL4511977 0.84 SLC6A3 (0.65) SLC6A4SLC6A3
SCHEMBL4517462 0.83 SLC6A4 (0.48) SLC6A4SLC6A3
SCHEMBL4522728 0.83 SLC6A3 (0.63) SLC6A4SLC6A3
SCHEMBL4517136 0.83 SLC6A4 (0.48) SLC6A4SLC6A3
SCHEMBL4517131 0.83 SLC6A4 (0.48) SLC6A4SLC6A3
SCHEMBL4513371 0.83 SLC6A3 (0.63) SLC6A4SLC6A3

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