SCHEMBL6532088

SCHEMBL6532088

CC(C)(COCc1ccccc1)NCC(=O)N1CCCC1C(=O)c1noc(C2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.55
DPP8 Q6V1X1 6/20 0.55
DPP7 Q9UHL4 6/20 0.55
CPT1A P50416 3/20 0.41
CPT2 P23786 2/20 0.41
FKBP1A P62942 2/20 0.39
KLK7 P49862 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
SCHEMBL6528023 0.98 DPP4 (0.54) DPP4DPP8DPP7CPT1ACPT2
SCHEMBL6530617 0.90 DPP4 (0.69) DPP4DPP8DPP7FKBP1A
SCHEMBL6529484 0.87 DPP4 (0.59) DPP4DPP8DPP7FKBP1A
SCHEMBL6532456 0.86 DPP4 (0.64) DPP4DPP8DPP7CPT1ACPT2
SCHEMBL6527703 0.86 DPP4 (0.59) DPP4DPP8DPP7CPT1ACPT2
SCHEMBL6530982 0.84 DPP4 (0.63) DPP4DPP8DPP7CPT1ACPT2
SCHEMBL6529453 0.83 DPP4 (0.58) DPP4DPP8DPP7CPT1ACPT2
SCHEMBL6528164 0.83 DPP4 (0.78) DPP4DPP8DPP7
SCHEMBL6514688 0.81 DPP4 (0.64) DPP4DPP8DPP7
SCHEMBL6530464 0.80 DPP4 (0.77) DPP4DPP8DPP7CPT1ACPT2

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