SCHEMBL6529985

SCHEMBL6529985

CCC(C)(C)c1nnc(C(=O)C2CCCN2C(=O)CNC(C)(C)C)o1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.68
DPP7 Q9UHL4 10/20 0.68
DPP8 Q6V1X1 11/20 0.68
DPP9 Q86TI2 1/20 0.45
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.38
FKBP1A P62942 1/20 0.36

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
SCHEMBL6531965 0.90 DPP4 (0.82) DPP4DPP7DPP8DPP9LMNA
SCHEMBL6530580 0.84 DPP4 (0.82) DPP4DPP7DPP8DPP9LMNA
SCHEMBL6528175 0.83 DPP4 (0.58) DPP4DPP7DPP8LMNARAB9A
SCHEMBL6508690 0.81 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL6529882 0.81 DPP4 (0.77) DPP4DPP7DPP8DPP9LMNA
SCHEMBL6531765 0.81 DPP4 (1.00) DPP4DPP7DPP8LMNARAB9A
SCHEMBL6530305 0.81 DPP4 (0.72) DPP4DPP7DPP8DPP9LMNA
SCHEMBL6530822 0.81 DPP4 (0.51) DPP4DPP7DPP8LMNASMN1; SMN2
SCHEMBL6517772 0.80 DPP4 (0.59) DPP4DPP7DPP8DPP9LMNA
SCHEMBL6531194 0.80 DPP4 (0.69) DPP4DPP7DPP8DPP9LMNA

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-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 WO disclosed