SCHEMBL4536006

SCHEMBL4536006

CCC(C)OC(=O)N1CC[CH]CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4542835 0.90 DPP4 (0.38) DPP4DPP7DPP8GAAALDH1A1
SCHEMBL4537876 0.81 DPP4 (0.36) DPP4DPP7DPP8GAANR1H2
SCHEMBL1713628 0.81 GPR119 (0.39) TSHR
SCHEMBL29294341 0.80 HTR1A (0.47) GAAALDH1A1POLBCYP1A2TSHR
SCHEMBL21428424 0.80 HTR1A (0.47) GAAALDH1A1POLBCYP1A2TSHR
SCHEMBL25179804 0.79 CA2 (0.38) ALDH1A1POLBTSHRHTTSMN1; SMN2
SCHEMBL4531819 0.79 TSHR (0.33) GAAALDH1A1POLBNR1H2NR1H3
SCHEMBL24715747 0.79 ALDH1A1 (0.36) GAAALDH1A1POLBCYP1A2CYP2C9
SCHEMBL12349916 0.77 ALDH1A1 (0.47) DPP4DPP7DPP8GAAALDH1A1
SCHEMBL13752451 0.77 LIPE (0.37) GAAALDH1A1POLBNR1H2NR1H3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009071691-A2 OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed