SCHEMBL6945729

SCHEMBL6945729

CCC([O])C(=O)N1CCSCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 7/20 0.47
DPP4 P27487 6/20 0.47
DPP8 Q6V1X1 3/20 0.47
DPP9 Q86TI2 3/20 0.47
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 2/20 0.34
GAA P10253 1/20 0.34
LIPE Q05469 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 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
SCHEMBL22699047 0.82 DPP7 (0.49) DPP7DPP4DPP8DPP9FAAH
SCHEMBL8484966 0.81 ALDH1A1 (0.42) DPP7CYP2C19EPHX2GAAKMT2A
SCHEMBL12947853 0.80 DPP4 (0.51) DPP7DPP4DPP8DPP9CYP2C19
SCHEMBL16435175 0.80 DPP4 (0.51) DPP7DPP4DPP8DPP9CYP2C19
SCHEMBL8487517 0.79 ALDH1A1 (0.46) DPP7DPP4CYP2C19EPHX2GAA
SCHEMBL6044953 0.78 DPP7 (0.46) DPP7DPP4DPP8DPP9FAAH
SCHEMBL6945616 0.77 DPP4 (0.43) DPP7DPP4DPP8DPP9FAAH
SCHEMBL8483742 0.76 CYP3A4 (0.50) CYP2C19GAAKMT2A
SCHEMBL28071366 0.74 DPP4 (0.82) DPP7DPP4DPP8DPP9
SCHEMBL28071368 0.74 DPP4 (0.82) DPP7DPP4DPP8DPP9

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-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed