SCHEMBL3601942

SCHEMBL3601942

CC(N)c1c(-c2ccc(Cl)cc2Cl)ncn1CCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
CNR1 P21554 4/20 0.36
CRHR1 P34998 3/20 0.35
KDM4C Q9H3R0 1/20 0.35
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
ALPL P05186 1/20 0.34
TLR8 Q9NR97 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
SCHEMBL3595651 0.90 CRHR1 (0.41) DPP4DPP8CNR1CRHR1HSD11B1
SCHEMBL3601200 0.89 TP53 (0.38) DPP4DPP8CRHR1KDM4CHSD11B1
SCHEMBL3607967 0.88 DPP4 (0.41) DPP4DPP8CNR1CRHR1HSD11B1
SCHEMBL3599359 0.84 CXCR2 (0.40) DPP4DPP8CNR1HSD11B1LMNA
SCHEMBL3600935 0.83 TP53 (0.45) DPP4DPP8CRHR1HSD11B1LMNA
SCHEMBL3597273 0.82 CXCR2 (0.40) DPP4DPP8CNR1HSD11B1LMNA
SCHEMBL3088284 0.81 DPP4 (0.43) DPP4DPP8CNR1KDM4CHSD11B1
SCHEMBL3601327 0.81 DPP4 (0.43) DPP4DPP8CNR1KDM4CHSD11B1
SCHEMBL3594733 0.80 CXCR2 (0.44) DPP4DPP8CNR1HSD11B1TP53
SCHEMBL3600919 0.79 MDM4 (0.42) DPP4DPP8CNR1KDM4CHSD11B1

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