SCHEMBL5335575

SCHEMBL5335575

CCC(=O)CN1c2c(c(=O)[nH]c(=O)n2C)N(Cc2ccccc2Br)C1N1CCCC(N)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.45
HPGD P15428 2/20 0.33
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRB P10828 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
P2RX7 Q99572 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL4669781 0.86 DPP4 (0.41) DPP4
SCHEMBL15533388 0.74 DPP4 (0.47) DPP4OPRM1OPRK1
SCHEMBL6674842 0.69 DPP4 (0.39) DPP4
SCHEMBL27600222 0.68 TSHR (0.39) DPP4HPGDNR3C1TSHRALDH1A1
SCHEMBL15533174 0.67 DPP4 (0.53) DPP4
SCHEMBL160189 0.67 DPP4 (0.53) DPP4
SCHEMBL15516850 0.67 DPP4 (0.53) DPP4
SCHEMBL4668700 0.67 DPP4 (0.68) DPP4
SCHEMBL6689878 0.66 DPP4 (0.40) DPP4
SCHEMBL15533861 0.66 DPP4 (0.43) DPP4

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
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US claimed