SCHEMBL6530003

SCHEMBL6530003

COCC(C)(C)NCC(=O)N1CCCC1C(=O)c1noc(-c2ccc(F)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.58
DPP7 Q9UHL4 10/20 0.58
DPP8 Q6V1X1 9/20 0.58
ACKR3 P25106 3/20 0.44
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37

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
SCHEMBL6530979 0.94 DPP4 (0.55) DPP4DPP7DPP8ACKR3SPHK2
SCHEMBL6529796 0.91 DPP4 (0.69) DPP4DPP7DPP8ACKR3
SCHEMBL6519353 0.90 DPP4 (0.58) DPP4DPP7DPP8ACKR3SPHK2
SCHEMBL6531771 0.83 DPP4 (0.81) DPP4DPP7DPP8
SCHEMBL6531569 0.82 DPP4 (0.82) DPP4DPP7DPP8
SCHEMBL6529872 0.81 DPP4 (0.71) DPP4DPP7DPP8
SCHEMBL6532456 0.81 DPP4 (0.64) DPP4DPP7DPP8
SCHEMBL6530982 0.81 DPP4 (0.63) DPP4DPP7DPP8
SCHEMBL6530976 0.80 ACKR3 (0.39) DPP4DPP7DPP8ACKR3SPHK2
SCHEMBL6528825 0.80 USP30 (0.47) DPP4DPP7DPP8

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