SCHEMBL8645667

SCHEMBL8645667

NCCCCC(N)C(=O)c1cccnc1O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP7 Q9UHL4 1/20 0.42
MMP2 P08253 1/20 0.41
GSR P00390 1/20 0.41
LTA4H P09960 1/20 0.38
TERT O14746 2/20 0.36
NAPRT Q6XQN6 1/20 0.35
P2RX7 Q99572 1/20 0.35
CTSK P43235 1/20 0.33

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
SCHEMBL8645671 1.00 DPP9 (0.42) DPP9DPP8DPP7MMP2GSR
SCHEMBL8580792 0.83 KDM4E (0.51) DPP9DPP8DPP7MMP2GSR
SCHEMBL8582274 0.83 KDM4E (0.51) DPP9DPP8DPP7MMP2GSR
SCHEMBL9315974 0.79 GSR (0.48) DPP9DPP8DPP7MMP2GSR
SCHEMBL9315967 0.79 GSR (0.48) DPP9DPP8DPP7MMP2GSR
SCHEMBL31229954 0.77 ALOX5 (0.47) DPP9DPP8DPP7MMP2GSR
SCHEMBL27475290 0.77 GSK3B (0.50) DPP9DPP8DPP7MMP2GSR
SCHEMBL31411149 0.77 GSK3B (0.50) DPP9DPP8DPP7MMP2GSR
SCHEMBL28841500 0.74 TDP1 (0.43) GSRNAPRT
Lysine SCHEMBL28641263 0.73 LMNA (0.59) DPP9DPP8DPP7MMP2GSR

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-5821065-A INCUBATING BODY FLUID SAMPLE WITH ANTIBODY WHICH SPECIFICALLY BINDS WITH SPECIFIED AMINO ACID SEQUENCE, DETERMINING COLLAGEN DEGRADATION PRODUCTS BOUND TO ANTIBODY BOEHRINGER MANNHEIM GMBH (DE) 1998-10-13 US disclosed