SCHEMBL5309463

SCHEMBL5309463

NCCCCC1(c2ccc3cc(Cl)ccc3c2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 19/20 0.46
SLC6A4 P31645 18/20 0.46
SLC6A2 P23975 5/20 0.46

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
Hydrochloric Acid SCHEMBL5310334 0.84 SLC6A4 (0.61) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5308752 0.83 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL5153687 0.83 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5310520 0.82 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL17029616 0.81 SLC6A4 (0.65) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5306058 0.79 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5302726 0.77 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5308202 0.76 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2
SCHEMBL5307673 0.75 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL5141057 0.75 SLC6A3 (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2005079284-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2005-09-01 WO disclosed