SCHEMBL6530714

SCHEMBL6530714

O=C(c1nnc(C2CCCCC2)o1)[C@@H]1CCCN1C(=O)CBr

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
DPP4 P27487 8/20 0.51
DPP8 Q6V1X1 6/20 0.47
DPP7 Q9UHL4 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.36
PDK2 Q15119 1/20 0.36
ADCY1 Q08828 2/20 0.36
CYP2C19 P33261 1/20 0.36
ADCY8 P40145 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
SCHEMBL6530305 0.84 DPP4 (0.72) PKMDPP4DPP8DPP7L3MBTL1
SCHEMBL6532165 0.82 DPP4 (0.67) PKMDPP4DPP8DPP7L3MBTL1
SCHEMBL6529519 0.82 DPP4 (0.74) PKMDPP4DPP8DPP7L3MBTL1
SCHEMBL6528004 0.81 DPP4 (0.69) PKMDPP4DPP8DPP7L3MBTL1
SCHEMBL6530229 0.81 DPP4 (0.69) PKMDPP4DPP8DPP7L3MBTL1
SCHEMBL6530301 0.81 DPP4 (0.50) PKMDPP4DPP8DPP7L3MBTL1
SCHEMBL6529125 0.80 DPP4 (0.61) PKMDPP4DPP8DPP7L3MBTL1
SCHEMBL6532278 0.80 PKM (0.52) PKMDPP4DPP8DPP7L3MBTL1
SCHEMBL6530178 0.78 DPP4 (0.46) PKMDPP4DPP8DPP7L3MBTL1
SCHEMBL6527981 0.77 DPP4 (0.57) PKMDPP4DPP8DPP7L3MBTL1

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