SCHEMBL6182172

SCHEMBL6182172

N#C[C@@H]1CCCN1C(=O)[C@@H]1CSC(c2ccc(-c3ccccn3)cc2)N1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.51
PREP P48147 2/20 0.45
FAP Q12884 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44

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 SCHEMBL6335196 0.99 DPP4 (0.50) DPP4PREPFAPDPP8DPP9
Hydrochloric Acid SCHEMBL6185544 0.87 DPP4 (0.52) DPP4PREPFAPDPP8DPP9
Hydrochloric Acid SCHEMBL6182378 0.85 DPP4 (0.54) DPP4PREP
Hydrochloric Acid SCHEMBL6185962 0.82 DPP4 (0.56) DPP4
Hydrochloric Acid SCHEMBL6182840 0.81 DPP4 (0.57) DPP4PREPFAPDPP8DPP9
Trifluoroacetic Acid SCHEMBL6184620 0.81 DPP4 (0.60) DPP4FAPDPP8
Hydrochloric Acid SCHEMBL6186023 0.81 DPP4 (0.53) DPP4PREPFAPDPP8DPP9
Hydrochloric Acid SCHEMBL6182726 0.79 DPP4 (0.60) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL6183926 0.79 DPP4 (0.55) DPP4
Hydrochloric Acid SCHEMBL6185151 0.78 DPP4 (0.67) DPP4PREPFAPDPP8DPP9

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