SCHEMBL2789482

SCHEMBL2789482

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4cnc(O)c(F)c4)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.34
DPP4 P27487 10/20 0.34
PROKR1 Q8TCW9 2/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 2/20 0.33
DPP7 Q9UHL4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
REN P00797 2/20 0.32
CYP3A4 P08684 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
SCHEMBL2789730 0.96 CFD (0.34) CFDDPP4PROKR1KCNH2DPP7
SCHEMBL2789102 0.94 PROKR1 (0.34) CFDDPP4PROKR1DPP7ALDH1A1
SCHEMBL2789630 0.93 PIK3CD (0.35) CFDDPP4DPP7DPP8DPP9
SCHEMBL2790305 0.93 CFD (0.33) CFDDPP4PROKR1KCNH2DPP7
SCHEMBL2789351 0.93 CFD (0.33) CFDDPP4PROKR1KCNH2DPP7
SCHEMBL2789348 0.93 CFD (0.33) CFDDPP4PROKR1KCNH2DPP7
SCHEMBL2792469 0.93 CFD (0.33) CFDDPP4PROKR1KCNH2DPP7
SCHEMBL2791421 0.92 CFD (0.36) CFDDPP4PROKR1MAPK1DPP7
SCHEMBL2789980 0.92 PROKR1 (0.35) CFDDPP4PROKR1MAPK1DPP7
SCHEMBL2790557 0.92 PROKR1 (0.35) CFDDPP4PROKR1MAPK1DPP7

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 3 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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed