SCHEMBL10112273

SCHEMBL10112273

CC1(C)CC[C@@H]([C@@H](C(N)=O)c2ccc(C3CC3)cc2)N1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
PDE2A O00408 7/20 0.36
HSD11B1 P28845 2/20 0.35
CYP2C9 P11712 1/20 0.35
ESR2 Q92731 1/20 0.34
FFAR1 O14842 1/20 0.34
NAMPT P43490 1/20 0.33
PARP1 P09874 1/20 0.31

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 0.85 HSD11B1 (0.38) DPP4HSD11B1
SCHEMBL10112658 0.85 SLC6A2 (0.41) DPP4HSD11B1CYP2C9
SCHEMBL12967842 0.74 SLC6A3 (0.49)
SCHEMBL28750424 0.70 SLC6A3 (0.41)
SCHEMBL29926647 0.68 DPP4 (0.45) DPP4DPP8DPP9PARP1
SCHEMBL10122799 0.68 CHRNB4 (0.39) CYP2C9
SCHEMBL28171776 0.64 KCNH2 (0.44)
SCHEMBL22443612 0.64 SLC6A3 (0.39)
SCHEMBL22443567 0.63 HTR2A (0.40)
SCHEMBL22443660 0.63 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