SCHEMBL2789351

SCHEMBL2789351

COCCCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(-c4ccc(O)nc4)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.33
PROKR1 Q8TCW9 2/20 0.33
DPP4 P27487 10/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
BTK Q06187 2/20 0.32
DPP7 Q9UHL4 2/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
REN P00797 2/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL2790305 1.00 CFD (0.33) CFDPROKR1DPP4ALDH1A1TSHR
SCHEMBL2789348 1.00 CFD (0.33) CFDPROKR1DPP4ALDH1A1TSHR
SCHEMBL2792469 1.00 CFD (0.33) CFDPROKR1DPP4ALDH1A1TSHR
SCHEMBL2789102 0.94 PROKR1 (0.34) CFDPROKR1DPP4ALDH1A1TSHR
SCHEMBL2790551 0.94 PROKR1 (0.35) CFDPROKR1DPP4ALDH1A1TSHR
SCHEMBL2790557 0.94 PROKR1 (0.35) CFDPROKR1DPP4ALDH1A1TSHR
SCHEMBL2790226 0.94 PROKR1 (0.35) CFDPROKR1DPP4ALDH1A1TSHR
SCHEMBL2789501 0.94 PROKR1 (0.35) CFDPROKR1DPP4ALDH1A1TSHR
SCHEMBL2789482 0.93 CFD (0.34) CFDPROKR1DPP4ALDH1A1TSHR
SCHEMBL2789980 0.93 PROKR1 (0.35) CFDPROKR1DPP4ALDH1A1TSHR

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