SCHEMBL3600919

SCHEMBL3600919

C[C@H](N)c1c(-c2ccc(Cl)cc2Cl)ncn1CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
DPP4 P27487 4/20 0.38
HSD11B1 P28845 2/20 0.38
DPP8 Q6V1X1 2/20 0.37
CCR5 P51681 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
CYP3A4 P08684 1/20 0.35
MAPK14 Q16539 1/20 0.35
CNR1 P21554 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 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
SCHEMBL3600935 0.87 TP53 (0.45) MDM4TP53MDM2DPP4HSD11B1
SCHEMBL3594733 0.85 CXCR2 (0.44) MDM4TP53MDM2DPP4HSD11B1
SCHEMBL3593028 0.84 ALDH1A1 (0.44) MDM4TP53MDM2DPP4HSD11B1
SCHEMBL3597273 0.83 CXCR2 (0.40) MDM4TP53MDM2DPP4HSD11B1
SCHEMBL3598381 0.83 DPP4 (0.49) MDM4TP53MDM2DPP4HSD11B1
SCHEMBL3599359 0.83 CXCR2 (0.40) MDM4TP53MDM2DPP4HSD11B1
SCHEMBL3599723 0.82 CNR1 (0.42) MDM4TP53MDM2DPP4HSD11B1
SCHEMBL3601200 0.81 TP53 (0.38) MDM4TP53MDM2DPP4HSD11B1
SCHEMBL3607967 0.81 DPP4 (0.41) DPP4HSD11B1DPP8CNR1
SCHEMBL3595829 0.81 CYP3A4 (0.44) MDM4TP53MDM2DPP4DPP8

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