SCHEMBL6185961

SCHEMBL6185961

COc1ccc(C2N[C@H](C(=O)N3CCC[C@H]3C#N)CS2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.56
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
DPP8 Q6V1X1 2/20 0.45
PREP P48147 1/20 0.45
FAP Q12884 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45

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
Hydrochloric Acid SCHEMBL6343169 0.99 DPP4 (0.55) DPP4ALDH1A1ALOX15DPP8PREP
SCHEMBL6184517 0.89 DPP4 (0.51) DPP4
Hydrochloric Acid SCHEMBL6343200 0.89 DPP4 (0.50) DPP4
Hydrochloric Acid SCHEMBL6182726 0.86 DPP4 (0.60) DPP4DPP8FAPDPP9DPP7
SCHEMBL6186082 0.86 DPP4 (0.52) DPP4DPP8
Hydrochloric Acid SCHEMBL6337273 0.85 DPP4 (0.51) DPP4DPP8
SCHEMBL6184591 0.85 DPP4 (0.52) DPP4DPP8PREPFAPDPP9
Hydrochloric Acid SCHEMBL6184091 0.85 DPP4 (0.54) DPP4PREP
SCHEMBL6184154 0.85 DPP4 (0.56) DPP4DPP8PREPFAPDPP9
Hydrochloric Acid SCHEMBL6336913 0.84 DPP4 (0.52) DPP4DPP8PREPFAPDPP9

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
EP-1535906-A1 NITROGEN-CONTAINING COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-01 EP disclosed