SCHEMBL5307673

SCHEMBL5307673

NCCCCC1(c2ccc(Cl)cc2F)CCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 16/20 0.47
SLC6A4 P31645 15/20 0.47
SLC6A2 P23975 3/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
KDM1A O60341 1/20 0.33

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 SCHEMBL5306689 0.82 SLC6A4 (0.45) SLC6A3SLC6A4SLC6A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL11125131 0.77 SLC6A4 (0.48) SLC6A3SLC6A4SLC6A2
SCHEMBL5309463 0.75 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5308752 0.75 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL5153687 0.75 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5310520 0.74 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5302726 0.72 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL31410053 0.71 SLC6A4 (0.39) SLC6A3SLC6A4HTR2AHTR2CHTR2B
SCHEMBL17186925 0.69 PRKAB2 (0.44) SLC6A3SLC6A4PRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL5306058 0.69 SLC6A3 (0.67) 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 5 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-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 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-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