SCHEMBL10112658

SCHEMBL10112658

CC1(C)CC[C@@H]([C@@H](C(N)=O)c2ccc(Cl)cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
NSD2 O96028 1/20 0.38
HSD11B1 P28845 2/20 0.37
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL10112277 0.86 HSD11B1 (0.38) HSD11B1DPP4DPP7
SCHEMBL10112273 0.85 DPP4 (0.36) HSD11B1DPP4CYP2C9
SCHEMBL11116777 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HSD11B1BRD4
SCHEMBL10112687 0.73 SLC6A3 (0.64) SLC6A2SLC6A4SLC6A3
SCHEMBL10112655 0.73 SLC6A3 (0.64) SLC6A2SLC6A4SLC6A3
SCHEMBL10112653 0.72 SLC6A3 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL28750424 0.71 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3GAASMN1; SMN2
SCHEMBL6846530 0.70 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL11114106 0.68 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL11116765 0.67 MGLL (0.41) GAAALDH1A1

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-2012087336-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 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-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed