SCHEMBL10112277

SCHEMBL10112277

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.38
DPP4 P27487 2/20 0.38
ALOX5 P09917 1/20 0.36
POLB P06746 1/20 0.35
CCR5 P51681 1/20 0.35
EPHX1 P07099 1/20 0.35
FPR2 P25090 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL10112658 0.86 SLC6A2 (0.41) HSD11B1DPP4DPP7
SCHEMBL10112273 0.85 DPP4 (0.36) HSD11B1DPP4
SCHEMBL28750424 0.71 SLC6A3 (0.41) POLB
SCHEMBL31605439 0.65 TDP1 (0.36) HSD11B1POLBEPHX1
SCHEMBL22443612 0.65 SLC6A3 (0.39)
SCHEMBL22443659 0.64 HTR2A (0.40)
SCHEMBL22443660 0.64 HTR2A (0.40)
SCHEMBL22443567 0.64 HTR2A (0.40)
SCHEMBL22443565 0.64 HTR2A (0.40)
SCHEMBL22443561 0.64 HTR2A (0.40)

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 3 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-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed