SCHEMBL3583003

SCHEMBL3583003

NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.42
DPP8 Q6V1X1 5/20 0.41
DPP9 Q86TI2 3/20 0.41
P2RX7 Q99572 2/20 0.40
MARS1 P56192 2/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
CHRNA7 P36544 1/20 0.38
CXCR2 P25025 1/20 0.38
ROS1 P08922 1/20 0.37
HRH1 P35367 1/20 0.37
CYP2A6 P11509 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL3084749 0.89 P2RX7 (0.46) DPP4DPP8DPP9P2RX7MARS1
SCHEMBL3604955 0.88 DPP4 (0.48) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL3586864 0.87 DPP4 (0.45) DPP4DPP8CYP3A4CXCR2
SCHEMBL3600802 0.85 DPP4 (0.44) DPP4DPP8CXCR2
SCHEMBL3585733 0.81 DPP4 (0.46) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL3602753 0.81 DPP4 (0.41) DPP4DPP8CXCR2IDO1
SCHEMBL3606760 0.81 DPP4 (0.44) DPP4DPP8DPP9CYP3A4
SCHEMBL3600269 0.81 DPP4 (0.41) DPP4DPP8CYP3A4CXCR2
SCHEMBL3096850 0.81 DPP4 (0.44) DPP4DPP8CYP3A4
SCHEMBL3595072 0.81 DPP4 (0.46) DPP4DPP8DPP9MARS1CYP3A4

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