SCHEMBL3600930

SCHEMBL3600930

NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCO

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.46
DPP8 Q6V1X1 4/20 0.44
MARS1 P56192 1/20 0.39
CYP3A4 P08684 1/20 0.38
CRHR1 P34998 1/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4C Q9H3R0 1/20 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
SCHEMBL3596892 0.92 DPP4 (0.44) DPP4DPP8CYP3A4HSD11B1KDM4C
SCHEMBL3088284 0.90 DPP4 (0.43) DPP4DPP8CYP3A4HSD11B1KDM4C
SCHEMBL3601327 0.90 DPP4 (0.43) DPP4DPP8CYP3A4HSD11B1KDM4C
SCHEMBL3600280 0.88 DPP4 (0.41) DPP4DPP8CYP3A4
SCHEMBL3091767 0.87 DPP4 (0.50) DPP4DPP8CRHR1HSD11B1
SCHEMBL3600855 0.86 DPP4 (0.45) DPP4DPP8CYP3A4HSD11B1KDM4C
SCHEMBL3096850 0.85 DPP4 (0.44) DPP4DPP8CYP3A4
SCHEMBL3600802 0.85 DPP4 (0.44) DPP4DPP8
SCHEMBL3596963 0.84 DPP4 (0.58) DPP4DPP8CYP3A4
SCHEMBL4660649 0.84 DPP4 (0.48) DPP4DPP8CYP3A4

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