SCHEMBL3604409

SCHEMBL3604409

NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.45
CNR1 P21554 2/20 0.44
HSD11B1 P28845 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
CYP3A4 P08684 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
TAAR1 Q96RJ0 2/20 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
SCHEMBL3092513 0.90 DPP4 (0.47) DPP4CNR1DPP8CYP3A4KDM4C
SCHEMBL3087663 0.89 CNR1 (0.47) DPP4CNR1HSD11B1DPP8CYP3A4
SCHEMBL3096850 0.86 DPP4 (0.44) DPP4DPP8CYP3A4
SCHEMBL3604955 0.84 DPP4 (0.48) DPP4CNR1DPP8CYP3A4
SCHEMBL3604583 0.83 CNR1 (0.41) DPP4CNR1DPP8CYP3A4KDM4C
SCHEMBL3606760 0.82 DPP4 (0.44) DPP4CNR1DPP8CYP3A4
SCHEMBL3600802 0.82 DPP4 (0.44) DPP4CNR1DPP8
SCHEMBL3595072 0.81 DPP4 (0.46) DPP4DPP8CYP3A4
SCHEMBL3586864 0.81 DPP4 (0.45) DPP4CNR1DPP8CYP3A4TAAR1
SCHEMBL3102779 0.81 DPP4 (0.47) DPP4CNR1HSD11B1DPP8CYP3A4

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