SCHEMBL8590366

SCHEMBL8590366

NN1C(=O)C(c2ccccc2Cl)c2c1ccc(Cl)c2[C@@H](CO)CCCCNC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
FOLH1 Q04609 4/20 0.40
DPP4 P27487 2/20 0.40
DPP9 Q86TI2 2/20 0.40
ACE P12821 2/20 0.39
ANPEP P15144 1/20 0.39
TGM2 P21980 3/20 0.38
HTT P42858 1/20 0.38
TGM6 O95932 1/20 0.38
F13A1 P00488 1/20 0.38
TGM1 P22735 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL8592432 0.88 CA1 (0.43) DPP8DPP7MMP2MMP9FOLH1
SCHEMBL8591127 0.88 CA1 (0.43) DPP8DPP7MMP2MMP9FOLH1
SCHEMBL8590371 0.68 FOLH1 (0.43) DPP8DPP7MMP2MMP9FOLH1
SCHEMBL2032072 0.67 DPP8 (0.61) DPP8DPP7MMP2MMP9FOLH1
SCHEMBL3181613 0.67 DPP8 (0.61) DPP8DPP7MMP2MMP9FOLH1
SCHEMBL2033858 0.67 DPP8 (0.61) DPP8DPP7MMP2MMP9FOLH1
SCHEMBL2228405 0.67 DPP8 (0.60) DPP8DPP7MMP2MMP9FOLH1
SCHEMBL22171710 0.66 HTT (0.62) DPP8DPP7MMP2MMP9FOLH1
SCHEMBL18254066 0.66 HTT (0.81) DPP8DPP7MMP2MMP9FOLH1
SCHEMBL6281421 0.65 DPP8 (0.59) DPP8DPP7MMP2MMP9FOLH1

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-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed