SCHEMBL7899334

SCHEMBL7899334

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4cnc(N)nc4)cc3)C2)cc2c(F)ccc(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.35
MAPK1 P28482 1/20 0.34
NMT1 P30419 3/20 0.34
FEN1 P39748 1/20 0.33
DPP4 P27487 10/20 0.33
NMT2 O60551 1/20 0.33
DPP7 Q9UHL4 5/20 0.33
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 3/20 0.33
BTK Q06187 1/20 0.33
MET P08581 1/20 0.32

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
SCHEMBL2789055 0.95 CFD (0.33) CFDMAPK1NMT1DPP4NMT2
SCHEMBL7897742 0.94 CFD (0.34) CFDMAPK1NMT1FEN1DPP4
SCHEMBL2788359 0.93 CFD (0.33) CFDMAPK1NMT1DPP4NMT2
SCHEMBL2790418 0.89 CFD (0.35) CFDFEN1DPP4DPP7DPP8
SCHEMBL2791666 0.87 CFD (0.34) CFDDPP4DPP7DPP8DPP9
SCHEMBL2791724 0.87 CFD (0.34) CFDDPP4DPP7DPP8DPP9
SCHEMBL2790905 0.87 CFD (0.34) CFDDPP4DPP7DPP8DPP9
SCHEMBL2791670 0.87 CFD (0.34) CFDDPP4DPP7DPP8DPP9
SCHEMBL2792686 0.84 DPP4 (0.34) CFDDPP4DPP7DPP8DPP9
SCHEMBL7898820 0.84 DPP4 (0.35) CFDMAPK1DPP4DPP7DPP8

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed