SCHEMBL2789730

SCHEMBL2789730

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.34
BTK Q06187 2/20 0.33
DPP4 P27487 9/20 0.33
GRIN2B Q13224 4/20 0.33
PROKR1 Q8TCW9 1/20 0.32
KCNH2 Q12809 1/20 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
DPP7 Q9UHL4 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRIN1 Q05586 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
SCHEMBL2789482 0.96 CFD (0.34) CFDDPP4PROKR1KCNH2ALDH1A1
SCHEMBL2791421 0.94 CFD (0.36) CFDBTKDPP4GRIN2BPROKR1
SCHEMBL2789102 0.92 PROKR1 (0.34) CFDBTKDPP4PROKR1ALDH1A1
SCHEMBL2789630 0.92 PIK3CD (0.35) CFDDPP4DPP8DPP9DPP7
SCHEMBL2790305 0.92 CFD (0.33) CFDBTKDPP4PROKR1KCNH2
SCHEMBL2789351 0.92 CFD (0.33) CFDBTKDPP4PROKR1KCNH2
SCHEMBL2789348 0.92 CFD (0.33) CFDBTKDPP4PROKR1KCNH2
SCHEMBL2792469 0.92 CFD (0.33) CFDBTKDPP4PROKR1KCNH2
SCHEMBL2789980 0.91 PROKR1 (0.35) CFDBTKDPP4PROKR1ALDH1A1
SCHEMBL2790557 0.91 PROKR1 (0.35) CFDBTKDPP4PROKR1ALDH1A1

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