SCHEMBL6691642

SCHEMBL6691642

CC1CC(C#N)N1C(=O)C1CC2CCCCC2N1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 17/20 0.41
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ CTSC P53634 2/20 0.35

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 SCHEMBL6694825 0.99 DPP4 (0.40) DPP4DPP8DPP9CTSC
SCHEMBL1071104 0.78 DPP4 (0.57) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6168108 0.77 DPP4 (0.56) DPP4DPP8DPP9
SCHEMBL8295955 0.77 DPP4 (0.67) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6168195 0.76 DPP4 (0.65) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6823557 0.76 DPP4 (0.65) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6918367 0.75 DPP4 (0.67) DPP4DPP8DPP9
SCHEMBL8295957 0.75 DPP4 (0.63) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6171974 0.73 DPP4 (0.47) DPP4
Hydrochloric Acid SCHEMBL6167671 0.73 DPP4 (0.46) DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004071454-A2 SUBSTITUTED AZETIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-08-26 — — WO disclosed
WO-2004071454-A2 SUBSTITUTED AZETIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-08-26 — — WO disclosed
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