SCHEMBL28071497

SCHEMBL28071497

CC(N)C(=O)N1CCSCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.50
DPP7 Q9UHL4 10/20 0.50
DPP8 Q6V1X1 4/20 0.50
DPP9 Q86TI2 4/20 0.50
KCNH2 Q12809 1/20 0.42
HPGD P15428 1/20 0.39
LIPE Q05469 1/20 0.38
FAP Q12884 2/20 0.37
PREP P48147 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL28071493 1.00 DPP4 (0.50) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL18722240 1.00 DPP4 (0.50) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL28071553 0.98 DPP4 (0.49) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL28071551 0.98 DPP4 (0.49) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL1911508 0.82 DPP4 (0.44) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL6945616 0.80 DPP4 (0.43) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL14656016 0.79
SCHEMBL2768507 0.79 DPP4 (0.44) DPP4DPP7DPP8DPP9HPGD
SCHEMBL1189333 0.79 DPP4 (0.44) DPP4DPP7DPP8DPP9HPGD
SCHEMBL26644135 0.79

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
CN-102453001-B Thiomorpholine compounds and its production and use INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-06-01 CN disclosed