SCHEMBL3600855

SCHEMBL3600855

NCCCCn1cnc(-c2ccc(Cl)cc2Cl)c1CN

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.45
DPP8 Q6V1X1 3/20 0.45
NSD2 O96028 1/20 0.38
CYP3A4 P08684 1/20 0.37
HSD11B1 P28845 1/20 0.36
KDM4C Q9H3R0 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
SCHEMBL3604507 0.90 DPP4 (0.47) DPP4DPP8HSD11B1
SCHEMBL3601327 0.89 DPP4 (0.43) DPP4DPP8CYP3A4HSD11B1KDM4C
SCHEMBL3599200 0.89 DPP4 (0.46) DPP4DPP8HSD11B1
SCHEMBL3088284 0.89 DPP4 (0.43) DPP4DPP8CYP3A4HSD11B1KDM4C
SCHEMBL3596892 0.89 DPP4 (0.44) DPP4DPP8CYP3A4HSD11B1KDM4C
SCHEMBL3603864 0.86 DPP4 (0.42) DPP4DPP8NSD2CYP3A4HSD11B1
SCHEMBL3603961 0.86 DPP4 (0.46) DPP4DPP8CYP3A4
SCHEMBL3091767 0.86 DPP4 (0.50) DPP4DPP8NSD2HSD11B1
SCHEMBL3600930 0.86 DPP4 (0.46) DPP4DPP8CYP3A4HSD11B1KDM4C
SCHEMBL3585733 0.84 DPP4 (0.46) 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