SCHEMBL8225940

SCHEMBL8225940

CC(C)Nc1ccc2c(c1)CN(C(=O)O)C2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.50
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL14959465 0.85 NAMPT (0.48) NAMPT
SCHEMBL8225764 0.82 NAMPT (0.47) NAMPTHDAC1HDAC8
SCHEMBL8212663 0.82 NAMPT (0.48) NAMPTHDAC8
SCHEMBL12187764 0.81 POLB (0.46) NAMPTDPP8DPP9DPP7
SCHEMBL11929934 0.80 HDAC1 (0.54) NAMPTHDAC1
SCHEMBL25091083 0.79 NAMPT (0.54) NAMPTHDAC8
SCHEMBL20873124 0.76 LMNA (0.52) NAMPT
SCHEMBL20873101 0.74 NAMPT (0.47) NAMPTHDAC1
SCHEMBL20873104 0.74 NAMPT (0.47) NAMPTHDAC1
SCHEMBL20873114 0.74 SMN1; SMN2 (0.50) NAMPTHDAC1HDAC8

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
WO-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 WO disclosed