SCHEMBL6072932

SCHEMBL6072932

NC(=O)c1ccccc1C(N)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RPS6KB1 P23443 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
METAP2 P50579 5/20 0.38
METAP1 P53582 2/20 0.38
EPHX1 P07099 2/20 0.38

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
SCHEMBL6171265 0.82 TP53 (0.48) TP53DPP4DPP8DPP9DPP7
SCHEMBL5598468 0.82 TP53 (0.48) TP53DPP4DPP8DPP9DPP7
SCHEMBL5598237 0.82 TP53 (0.48) TP53DPP4DPP8DPP9DPP7
SCHEMBL6170527 0.80 TP53 (0.42) TP53DPP4DPP8DPP9DPP7
SCHEMBL5598341 0.77 TP53 (0.44) TP53DPP4DPP8DPP9DPP7
SCHEMBL5598180 0.74 HTR1E (0.42) TP53KDM4EALDH1A1HPGDIRAK4
SCHEMBL4128255 0.73 IRAK4 (0.38) TP53DPP4DPP8DPP9DPP7
SCHEMBL14862496 0.72 OPRL1 (0.39) ALDH1A1HTT
SCHEMBL7368091 0.72 MAPT (0.46) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL30100422 0.71 RPS6KB1 (0.46) TP53DPP4DPP8DPP9DPP7

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-2006011035-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2006-02-02 WO claimed