SCHEMBL3600399

SCHEMBL3600399

CC(C)N(CCn1cnc(-c2ccc(Cl)cc2Cl)c1CN)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.42
DPP8 Q6V1X1 3/20 0.42
ACHE P22303 1/20 0.39
CRHR1 P34998 4/20 0.37
CYP3A4 P08684 1/20 0.36
HSD11B1 P28845 1/20 0.35
NSD2 O96028 1/20 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
SCHEMBL3603728 0.85 DPP4 (0.45) DPP4DPP8CYP3A4HSD11B1NSD2
SCHEMBL3091767 0.83 DPP4 (0.50) DPP4DPP8CRHR1HSD11B1NSD2
SCHEMBL3603864 0.81 DPP4 (0.42) DPP4DPP8CRHR1CYP3A4HSD11B1
SCHEMBL3600930 0.81 DPP4 (0.46) DPP4DPP8CRHR1CYP3A4HSD11B1
SCHEMBL3596963 0.80 DPP4 (0.58) DPP4DPP8CYP3A4NSD2
SCHEMBL3601749 0.80 DPP4 (0.47) DPP4DPP8CRHR1CYP3A4
SCHEMBL3604507 0.80 DPP4 (0.47) DPP4DPP8CRHR1HSD11B1
SCHEMBL3597097 0.80 DPP4 (0.45) DPP4DPP8CRHR1CYP3A4
SCHEMBL3096043 0.80 DPP4 (0.45) DPP4DPP8CYP3A4HSD11B1NSD2
SCHEMBL3600855 0.80 DPP4 (0.45) DPP4DPP8CYP3A4HSD11B1NSD2

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