SCHEMBL6529796

SCHEMBL6529796

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.69
DPP8 Q6V1X1 9/20 0.69
DPP7 Q9UHL4 9/20 0.69
ACKR3 P25106 1/20 0.37
TSHR P16473 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL6519353 0.92 DPP4 (0.58) DPP4DPP8DPP7ACKR3TSHR
SCHEMBL6530003 0.91 DPP4 (0.58) DPP4DPP8DPP7ACKR3
SCHEMBL6530979 0.88 DPP4 (0.55) DPP4DPP8DPP7ACKR3
SCHEMBL6528758 0.82 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6530653 0.81 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6530636 0.81 DPP4 (0.74) DPP4DPP8DPP7
SCHEMBL6528164 0.81 DPP4 (0.78) DPP4DPP8DPP7
SCHEMBL6530464 0.80 DPP4 (0.77) DPP4DPP8DPP7
SCHEMBL6528825 0.80 USP30 (0.47) DPP4DPP8DPP7
SCHEMBL6532358 0.78 DPP4 (0.74) DPP4DPP8DPP7

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