SCHEMBL2789055

SCHEMBL2789055

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.33
DPP4 P27487 12/20 0.33
NMT1 P30419 3/20 0.33
NMT2 O60551 1/20 0.33
DPP7 Q9UHL4 5/20 0.33
DPP8 Q6V1X1 5/20 0.33
DPP9 Q86TI2 3/20 0.33
MAPK1 P28482 1/20 0.33
BTK Q06187 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
SCHEMBL7899334 0.95 CFD (0.35) CFDDPP4NMT1NMT2DPP7
SCHEMBL2790418 0.95 CFD (0.35) CFDDPP4DPP7DPP8DPP9
SCHEMBL2788359 0.94 CFD (0.33) CFDDPP4NMT1NMT2DPP7
SCHEMBL7897742 0.93 CFD (0.34) CFDDPP4NMT1NMT2DPP7
SCHEMBL2791666 0.89 CFD (0.34) CFDDPP4DPP7DPP8DPP9
SCHEMBL2791724 0.89 CFD (0.34) CFDDPP4DPP7DPP8DPP9
SCHEMBL2791670 0.89 CFD (0.34) CFDDPP4DPP7DPP8DPP9
SCHEMBL2790905 0.89 CFD (0.34) CFDDPP4DPP7DPP8DPP9
SCHEMBL2789780 0.87 NMT1 (0.33) CFDDPP4NMT1NMT2DPP7
SCHEMBL2789099 0.87 CFD (0.35) CFDDPP4DPP7DPP8DPP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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