SCHEMBL741981

SCHEMBL741981

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5c(c4)OC(F)(F)O5)cc3)C2)nc2c(F)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.35
DPP4 P27487 7/20 0.33
SCD5 Q86SK9 1/20 0.33
HRH1 P35367 2/20 0.33
DPP9 Q86TI2 2/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
RORC P51449 1/20 0.32
F11 P03951 2/20 0.31
DPP7 Q9UHL4 4/20 0.31
DPP8 Q6V1X1 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31

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
SCHEMBL741982 1.00 CFD (0.35) CFDDPP4SCD5HRH1DPP9
SCHEMBL739094 0.91 CFD (0.35) CFDDPP4SCD5HRH1DPP9
SCHEMBL739093 0.91 CFD (0.35) CFDDPP4SCD5HRH1DPP9
SCHEMBL740772 0.88 HTT (0.39) CFDDPP4HRH1DPP9CYP2D6
SCHEMBL740771 0.88 HTT (0.39) CFDDPP4HRH1DPP9CYP2D6
SCHEMBL741289 0.88 CFD (0.36) CFDDPP4HRH1DPP9CYP2D6
SCHEMBL741288 0.88 CFD (0.36) CFDDPP4HRH1DPP9CYP2D6
SCHEMBL740111 0.88 CFD (0.34) CFDDPP4HRH1DPP9CYP2D6
SCHEMBL740110 0.88 CFD (0.34) CFDDPP4HRH1DPP9CYP2D6
SCHEMBL741797 0.87 LIPG (0.35) CFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US claimed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed