SCHEMBL10122798

SCHEMBL10122798

NC(=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1CCCO

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 1/20 0.39
LTA4H P09960 2/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL10112675 0.84 ALDH1A1 (0.42) GAA
SCHEMBL10112665 0.82 KDM2B (0.43) GAA
SCHEMBL10112664 0.81 GLA (0.39) GAA
SCHEMBL10112672 0.81 GAA (0.38) WDR91GAA
SCHEMBL10112681 0.80 GAA (0.38) GAA
SCHEMBL10112661 0.76 SLC6A2 (0.44)
SCHEMBL10112656 0.74 GAA (0.41) GAA
SCHEMBL13959611 0.73 AKT1 (0.38)
SCHEMBL10112684 0.71 CNR2 (0.42) WDR91GAA
SCHEMBL7291706 0.69 ADRA1A (0.56) LTA4H

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 2 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-2012087336-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed