SCHEMBL10112653

SCHEMBL10112653

NC(=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.70
SLC6A2 P23975 7/20 0.70
SLC6A4 P31645 7/20 0.70

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
SCHEMBL10112655 0.96 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4
SCHEMBL10112687 0.96 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4
SCHEMBL25998749 0.86 SLC6A3 (0.59) SLC6A3SLC6A2SLC6A4
SCHEMBL25998726 0.86 SLC6A3 (0.59) SLC6A3SLC6A2SLC6A4
SCHEMBL14453323 0.85 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL637496 0.85 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL5564447 0.85 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL6886035 0.85 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL14453322 0.85 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL2142477 0.84 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012135749-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
WO-2012087336-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed