SCHEMBL6527980

SCHEMBL6527980

COCOCC(C)(C)NCCN1CCCC1C(=O)c1nnc(C2CCCCC2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.45
PKM P14618 1/20 0.44
DPP8 Q6V1X1 4/20 0.38
DPP7 Q9UHL4 4/20 0.38
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADCY1 Q08828 4/20 0.33
PDK2 Q15119 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.31
ADCY8 P40145 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR4 Q13639 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6528894 0.86 DPP4 (0.52) DPP4PKMDPP8DPP7LMNA
SCHEMBL6527981 0.85 DPP4 (0.57) DPP4PKMDPP8DPP7LMNA
SCHEMBL6529451 0.84 DPP4 (0.40) DPP4PKMDPP8DPP7SMN1; SMN2
SCHEMBL6527697 0.81 DPP4 (0.41) DPP4DPP8DPP7L3MBTL1ALDH1A1
SCHEMBL6529125 0.77 DPP4 (0.61) DPP4PKMDPP8DPP7LMNA
SCHEMBL6532303 0.77 DPP4 (0.76) DPP4PKMDPP8DPP7
SCHEMBL6532892 0.76 DPP4 (0.53) DPP4DPP8DPP7L3MBTL1ALDH1A1
SCHEMBL6530976 0.71 ACKR3 (0.39) DPP4DPP8DPP7TSHRPOLB
SCHEMBL6530305 0.71 DPP4 (0.72) DPP4PKMDPP8DPP7LMNA
SCHEMBL6529519 0.71 DPP4 (0.74) DPP4PKMDPP8DPP7LMNA

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