SCHEMBL11430263

SCHEMBL11430263

N=C(N)NCCC[C@@H]([C]=O)N(C(=O)OCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)CCN

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.42
ACE P12821 4/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
F2 P00734 3/20 0.40
TMPRSS11D O60235 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PRCP P42785 1/20 0.40
KMT2A Q03164 1/20 0.38
PREP P48147 3/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
FKBP1A P62942 2/20 0.37

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
SCHEMBL11079616 0.95 DPP4 (0.41) DPP4ACEDPP8DPP9DPP7
SCHEMBL7353231 0.81 HTT (0.41) DPP8DPP7
SCHEMBL11009035 0.80 HTR2C (0.39) DPP4DPP8DPP9DPP7KMT2A
SCHEMBL7761092 0.78 DPP4 (0.46) DPP4DPP8DPP9DPP7F2
SCHEMBL11430260 0.77 DPP4 (0.49) DPP4ACEDPP8DPP9DPP7
SCHEMBL9314043 0.76 DPP8 (0.41) DPP4DPP8DPP9DPP7
SCHEMBL9128839 0.76 LTA4H (0.40) DPP4DPP8DPP9DPP7
SCHEMBL9407277 0.75 F2 (0.38) DPP4DPP8DPP9DPP7F2
SCHEMBL9407310 0.74 DPP4 (0.38) DPP4DPP8DPP9DPP7F2
SCHEMBL9407285 0.74 PREP (0.37) DPP4DPP8DPP9DPP7F10

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-4221706-A B-ALANYL OR G-AMINOBUTYRYL-PROLYL-ARGINYL-P-NITROANILIDE, FOR QUANTITATIVE MEASUREMENT OF PROTEOLYTIC ENZYMES ABBOTT LABORATORIES (US) 1980-09-09 US disclosed