SCHEMBL10112675

SCHEMBL10112675

CCN1CCC[C@H]1[C@@H](C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.40
DRD2 P14416 1/20 0.40
NSD2 O96028 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL10112665 0.86 KDM2B (0.43) ALDH1A1GAANSD2KDM2B
SCHEMBL10112681 0.85 GAA (0.38) ALDH1A1GAASLC6A2SLC6A4SLC6A3
SCHEMBL10112664 0.85 GLA (0.39) GAANSD2
SCHEMBL10112672 0.84 GAA (0.38) GAANSD2
SCHEMBL10122798 0.84 WDR91 (0.39) GAA
SCHEMBL10112656 0.80 GAA (0.41) GAANSD2SLC6A2SLC6A4SLC6A3
SCHEMBL10112661 0.78 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL10112684 0.73 CNR2 (0.42) ALDH1A1GAANSD2
SCHEMBL31575348 0.70 CHRNB2 (0.43) GAASLC6A2SLC6A4SLC6A3
SCHEMBL31575359 0.70 CHRNB2 (0.43) GAASLC6A2SLC6A4SLC6A3

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