SCHEMBL3596892

SCHEMBL3596892

NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCCO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.44
DPP8 Q6V1X1 4/20 0.43
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
CYP3A4 P08684 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
FRK P42685 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3B P49841 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
TGFBR1 P36897 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL3601327 0.95 DPP4 (0.43) DPP4DPP8CYP3A4KDM4CHSD11B1
SCHEMBL3088284 0.95 DPP4 (0.43) DPP4DPP8CYP3A4KDM4CHSD11B1
SCHEMBL3600930 0.92 DPP4 (0.46) DPP4DPP8CYP3A4KDM4CHSD11B1
SCHEMBL3600855 0.89 DPP4 (0.45) DPP4DPP8CYP3A4KDM4CHSD11B1
SCHEMBL3604507 0.86 DPP4 (0.47) DPP4DPP8HSD11B1
SCHEMBL3600280 0.86 DPP4 (0.41) DPP4DPP8CYP3A4
SCHEMBL3599200 0.85 DPP4 (0.46) DPP4DPP8HSD11B1
SCHEMBL3091767 0.85 DPP4 (0.50) DPP4DPP8HSD11B1
SCHEMBL3585733 0.83 DPP4 (0.46) DPP4DPP8CYP3A4
SCHEMBL3600802 0.82 DPP4 (0.44) DPP4DPP8

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-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed