SCHEMBL739094

SCHEMBL739094

COCCCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(-c4ccc5c(c4)OCCO5)cc3)C2)nc2c(F)cccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.35
RORC P51449 2/20 0.34
DPP4 P27487 3/20 0.34
HRH1 P35367 2/20 0.34
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
SCD5 Q86SK9 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP9 Q86TI2 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 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
SCHEMBL739093 1.00 CFD (0.35) CFDRORCDPP4HRH1CYP2D6
SCHEMBL741289 0.93 CFD (0.36) CFDDPP4HRH1CYP2D6KDM4E
SCHEMBL741288 0.93 CFD (0.36) CFDDPP4HRH1CYP2D6KDM4E
SCHEMBL740110 0.93 CFD (0.34) CFDDPP4HRH1CYP2D6ALDH1A1
SCHEMBL740111 0.93 CFD (0.34) CFDDPP4HRH1CYP2D6ALDH1A1
SCHEMBL741982 0.91 CFD (0.35) CFDRORCDPP4HRH1CYP2D6
SCHEMBL741981 0.91 CFD (0.35) CFDRORCDPP4HRH1CYP2D6
SCHEMBL740772 0.89 HTT (0.39) CFDDPP4HRH1CYP2D6ALDH1A1
SCHEMBL740771 0.89 HTT (0.39) CFDDPP4HRH1CYP2D6ALDH1A1
SCHEMBL741798 0.88 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 2 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