SCHEMBL3603864

SCHEMBL3603864

CC(C)CCCCCCn1cnc(-c2ccc(Cl)cc2Cl)c1CN

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.42
DPP8 Q6V1X1 3/20 0.42
TP53 P04637 2/20 0.38
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
ALPL P05186 1/20 0.35
CRHR1 P34998 1/20 0.35
HSD11B1 P28845 1/20 0.35
NSD2 O96028 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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 0.91 DPP4 (0.45) DPP4DPP8TP53MDM4MDM2
SCHEMBL3599200 0.87 DPP4 (0.46) DPP4DPP8CRHR1HSD11B1
SCHEMBL3604507 0.86 DPP4 (0.47) DPP4DPP8CRHR1HSD11B1
SCHEMBL3600855 0.86 DPP4 (0.45) DPP4DPP8HSD11B1NSD2CYP3A4
SCHEMBL3601200 0.85 TP53 (0.38) DPP4DPP8TP53MDM4MDM2
SCHEMBL3088284 0.85 DPP4 (0.43) DPP4DPP8ALPLHSD11B1CYP3A4
SCHEMBL3601327 0.85 DPP4 (0.43) DPP4DPP8ALPLHSD11B1CYP3A4
SCHEMBL3596892 0.82 DPP4 (0.44) DPP4DPP8HSD11B1CYP3A4
SCHEMBL3091767 0.82 DPP4 (0.50) DPP4DPP8CRHR1HSD11B1NSD2
SCHEMBL3600399 0.81 DPP4 (0.42) DPP4DPP8CRHR1HSD11B1NSD2

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