SCHEMBL3601192

SCHEMBL3601192

NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
CYP2A13 Q16696 1/20 0.43
DPP4 P27487 4/20 0.41
SIGMAR1 Q99720 1/20 0.41
SLC2A2 P11168 1/20 0.41
DPP8 Q6V1X1 2/20 0.40
TGFBR1 P36897 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL3598377 0.91 DPP4 (0.43) DPP4SIGMAR1DPP8TGFBR1HTT
SCHEMBL3598863 0.90 HTT (0.43) DPP4SIGMAR1DPP8HTTKMT2A
SCHEMBL3600930 0.81 DPP4 (0.46) DPP4DPP8
SCHEMBL3091767 0.81 DPP4 (0.50) DPP4DPP8
SCHEMBL3600855 0.80 DPP4 (0.45) DPP4DPP8
SCHEMBL3096850 0.79 DPP4 (0.44) DPP4DPP8
SCHEMBL3596892 0.79 DPP4 (0.44) DPP4DPP8TGFBR1
SCHEMBL3600802 0.79 DPP4 (0.44) DPP4DPP8
SCHEMBL3596963 0.78 DPP4 (0.58) DPP4DPP8
SCHEMBL4660649 0.78 DPP4 (0.48) 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